
 BRN 5356180

 61 62  0  0  0  0  0  0  0  0999 V2000
    3.7975   -2.4089    1.9373 C   0  0  0  0  0
    4.1693   -1.2022    1.1978 N   0  0  0  0  0
    3.0223   -0.2975    1.1114 C   0  0  0  0  0
    5.3371   -0.5642    1.8363 C   0  0  0  0  0
    5.8739    0.6032    1.0756 C   0  0  0  0  0
    5.6882    1.9662    1.1860 C   0  0  0  0  0
    6.4610    2.5617    0.1620 C   0  0  0  0  0
    7.0835    1.5280   -0.5071 C   0  0  0  0  0
    6.7445    0.3340    0.0596 O   0  0  0  0  0
    8.0129    1.4751   -1.6612 C   0  0  0  0  0
    7.0995    1.5956   -3.2305 S   0  0  0  0  0
    8.5036    1.4299   -4.3719 C   0  0  0  0  0
    7.9989    1.3994   -5.8125 C   0  0  0  0  0
    9.1644    1.3139   -6.8014 C   0  0  0  0  0
    8.6615    1.3009   -8.2471 C   0  0  0  0  0
    9.8257    1.2334   -9.2327 C   0  0  0  0  0
    9.1923    1.2876  -10.9348 S   0  0  0  0  0
   10.7662    1.0517  -11.8167 C   0  0  0  0  0
   10.5436    1.0073  -13.2817 C   0  0  0  0  0
   10.4235    1.9815  -14.2510 C   0  0  0  0  0
   10.2202    1.3028  -15.4751 C   0  0  0  0  0
   10.2117   -0.0458  -15.1809 C   0  0  0  0  0
   10.4355   -0.2299  -13.8472 O   0  0  0  0  0
   10.0346   -1.2715  -16.0150 C   0  0  0  0  0
    8.6383   -1.7458  -16.0839 N   0  0  0  0  0
    7.7565   -0.7798  -16.7404 C   0  0  0  0  0
    8.5844   -3.0271  -16.7889 C   0  0  0  0  0
    4.6295   -3.1214    1.9599 H   0  0  0  0  0
    2.9627   -2.9213    1.4458 H   0  0  0  0  0
    3.5044   -2.1865    2.9700 H   0  0  0  0  0
    2.1547   -0.8146    0.6856 H   0  0  0  0  0
    3.2271    0.5416    0.4387 H   0  0  0  0  0
    2.7348    0.1007    2.0911 H   0  0  0  0  0
    6.1479   -1.3003    1.9201 H   0  0  0  0  0
    5.0943   -0.2481    2.8594 H   0  0  0  0  0
    5.0537    2.4634    1.9060 H   0  0  0  0  0
    6.5459    3.6132   -0.0732 H   0  0  0  0  0
    8.5823    0.5401   -1.6453 H   0  0  0  0  0
    8.7222    2.3073   -1.6003 H   0  0  0  0  0
    9.0466    0.5066   -4.1450 H   0  0  0  0  0
    9.1794    2.2786   -4.2241 H   0  0  0  0  0
    7.4131    2.3023   -6.0269 H   0  0  0  0  0
    7.3370    0.5365   -5.9604 H   0  0  0  0  0
    9.7496    0.4072   -6.6055 H   0  0  0  0  0
    9.8337    2.1703   -6.6539 H   0  0  0  0  0
    8.0661    2.2051   -8.4268 H   0  0  0  0  0
    7.9983    0.4381   -8.3899 H   0  0  0  0  0
   10.3889    0.3061   -9.0852 H   0  0  0  0  0
   10.5017    2.0812   -9.0814 H   0  0  0  0  0
   11.2356    0.1225  -11.4784 H   0  0  0  0  0
   11.4371    1.8817  -11.5713 H   0  0  0  0  0
   10.4648    3.0494  -14.0885 H   0  0  0  0  0
   10.0737    1.7391  -16.4528 H   0  0  0  0  0
   10.6602   -2.0596  -15.5745 H   0  0  0  0  0
   10.4305   -1.0843  -17.0219 H   0  0  0  0  0
    7.6576    0.1353  -16.1480 H   0  0  0  0  0
    6.7418   -1.1841  -16.8330 H   0  0  0  0  0
    8.1094   -0.5121  -17.7429 H   0  0  0  0  0
    9.1932   -3.7787  -16.2742 H   0  0  0  0  0
    8.9379   -2.9444  -17.8232 H   0  0  0  0  0
    7.5599   -3.4158  -16.8058 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
BRN 5356180

>  <PubChem CID>
3071774

>  <Formula>
C21H34N2O2S2

>  <Molecular Weight>
410.635000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C21H34N2O2S2/c1-22(2)14-18-8-10-20(24-18)16-26-12-6-5-7-13-27-17-21-11-9-19(25-21)15-23(3)4/h8-11H,5-7,12-17H2,1-4H3

>  <InChI Key>
DCTRPSAPKPORBP-UHFFFAOYSA-N

