
 BRN 5354948

 58 59  0  0  0  0  0  0  0  0999 V2000
    3.1694    0.9063   -0.5880 C   0  0  0  0  0
    3.4537   -0.4367   -1.1037 N   0  0  0  0  0
    2.2186   -1.2215   -1.1411 C   0  0  0  0  0
    4.0509   -0.3797   -2.4545 C   0  0  0  0  0
    5.3917    0.2751   -2.4602 C   0  0  0  0  0
    6.5586    0.0445   -1.7649 C   0  0  0  0  0
    7.4571    1.0699   -2.1425 C   0  0  0  0  0
    6.8092    1.8419   -3.0874 C   0  0  0  0  0
    5.5460    1.3526   -3.2811 O   0  0  0  0  0
    7.1326    3.0554   -3.8836 C   0  0  0  0  0
    8.8630    3.6175   -3.8296 S   0  0  0  0  0
    9.7469    2.1759   -4.5145 C   0  0  0  0  0
    9.3141    1.7859   -5.9263 C   0  0  0  0  0
   10.0928    0.5760   -6.4639 C   0  0  0  0  0
    9.7933   -0.7015   -5.6778 C   0  0  0  0  0
   10.6654   -2.1185   -6.4164 S   0  0  0  0  0
   10.1399   -3.4122   -5.2420 C   0  0  0  0  0
   10.6509   -3.1695   -3.8701 C   0  0  0  0  0
   11.9149   -3.0432   -3.3315 C   0  0  0  0  0
   11.7412   -2.8316   -1.9440 C   0  0  0  0  0
   10.3815   -2.8550   -1.7129 C   0  0  0  0  0
    9.7123   -3.0377   -2.8875 O   0  0  0  0  0
    9.5618   -2.7146   -0.4704 C   0  0  0  0  0
    8.7420   -3.9024   -0.1630 N   0  0  0  0  0
    9.5648   -5.0883    0.0790 C   0  0  0  0  0
    7.8959   -3.6353    1.0010 C   0  0  0  0  0
    4.0888    1.4860   -0.4531 H   0  0  0  0  0
    2.7065    0.8439    0.4036 H   0  0  0  0  0
    2.4975    1.4695   -1.2454 H   0  0  0  0  0
    1.7870   -1.3068   -0.1374 H   0  0  0  0  0
    2.4191   -2.2433   -1.4818 H   0  0  0  0  0
    1.4655   -0.7776   -1.8026 H   0  0  0  0  0
    3.3779    0.1313   -3.1557 H   0  0  0  0  0
    4.1901   -1.4007   -2.8331 H   0  0  0  0  0
    6.7114   -0.7448   -1.0424 H   0  0  0  0  0
    8.4568    1.2261   -1.7627 H   0  0  0  0  0
    6.5253    3.8828   -3.4992 H   0  0  0  0  0
    6.8324    2.9185   -4.9271 H   0  0  0  0  0
    9.6433    1.3451   -3.8159 H   0  0  0  0  0
   10.8110    2.4373   -4.5244 H   0  0  0  0  0
    9.4786    2.6320   -6.6050 H   0  0  0  0  0
    8.2465    1.5466   -5.9608 H   0  0  0  0  0
   11.1676    0.7964   -6.4388 H   0  0  0  0  0
    9.8163    0.4367   -7.5167 H   0  0  0  0  0
    8.7177   -0.9048   -5.6791 H   0  0  0  0  0
   10.1287   -0.5910   -4.6443 H   0  0  0  0  0
   10.5251   -4.3708   -5.6053 H   0  0  0  0  0
    9.0469   -3.4782   -5.2545 H   0  0  0  0  0
   12.8454   -3.0948   -3.8793 H   0  0  0  0  0
   12.5100   -2.6894   -1.1986 H   0  0  0  0  0
    8.9053   -1.8477   -0.6139 H   0  0  0  0  0
   10.2212   -2.4741    0.3743 H   0  0  0  0  0
   10.1200   -5.3779   -0.8195 H   0  0  0  0  0
    8.9331   -5.9479    0.3308 H   0  0  0  0  0
   10.2789   -4.9373    0.8964 H   0  0  0  0  0
    7.2376   -2.7796    0.8143 H   0  0  0  0  0
    8.4859   -3.4272    1.9012 H   0  0  0  0  0
    7.2438   -4.4912    1.2080 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 23 24  1  0  0  0
 23 51  1  0  0  0
 23 52  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 25 53  1  0  0  0
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 25 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
M  END

>  <Chemical Name>
BRN 5354948

>  <PubChem CID>
3071773

>  <Formula>
C20H32N2O2S2

>  <Molecular Weight>
396.608000

>  <IUPAC Name>
1-[5-[4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]butylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C20H32N2O2S2/c1-21(2)13-17-7-9-19(23-17)15-25-11-5-6-12-26-16-20-10-8-18(24-20)14-22(3)4/h7-10H,5-6,11-16H2,1-4H3

>  <InChI Key>
QLQLZILPUSPCNJ-UHFFFAOYSA-N

