
 BRN 5356615

 64 65  0  0  0  0  0  0  0  0999 V2000
    7.7177   -2.3748   -3.5502 C   0  0  0  0  0
    6.5290   -2.6815   -2.7488 N   0  0  0  0  0
    6.7448   -3.9263   -2.0066 C   0  0  0  0  0
    6.2245   -1.5912   -1.8013 C   0  0  0  0  0
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    5.0318    1.4437   -3.5861 C   0  0  0  0  0
    6.2293    1.7952   -2.9939 C   0  0  0  0  0
    6.7362    0.7260   -2.3136 O   0  0  0  0  0
    7.0356    3.0404   -2.9232 C   0  0  0  0  0
    6.9504    4.0565   -4.4297 S   0  0  0  0  0
    7.7734    2.9281   -5.6000 C   0  0  0  0  0
    7.7650    3.5576   -6.9917 C   0  0  0  0  0
    8.3846    2.6172   -8.0281 C   0  0  0  0  0
    8.3060    3.2219   -9.4323 C   0  0  0  0  0
    9.0361    2.3904  -10.4908 C   0  0  0  0  0
    8.4248    1.0046  -10.6935 C   0  0  0  0  0
    9.2123    0.0946  -12.0621 S   0  0  0  0  0
   10.8569   -0.1859  -11.3303 C   0  0  0  0  0
   11.7328   -0.9328  -12.2638 C   0  0  0  0  0
   12.0462   -2.2671  -12.4176 C   0  0  0  0  0
   12.9764   -2.3375  -13.4835 C   0  0  0  0  0
   13.1743   -1.0434  -13.9158 C   0  0  0  0  0
   12.4270   -0.1835  -13.1674 O   0  0  0  0  0
   14.0036   -0.4278  -14.9911 C   0  0  0  0  0
   15.4521   -0.6514  -14.8104 N   0  0  0  0  0
   16.1723   -0.1144  -15.9678 C   0  0  0  0  0
   15.9419   -0.0089  -13.5867 C   0  0  0  0  0
    7.5485   -1.5080   -4.1980 H   0  0  0  0  0
    7.9525   -3.2098   -4.2202 H   0  0  0  0  0
    8.5979   -2.1774   -2.9278 H   0  0  0  0  0
    6.9320   -4.7579   -2.6949 H   0  0  0  0  0
    5.8519   -4.1929   -1.4303 H   0  0  0  0  0
    7.5926   -3.8544   -1.3150 H   0  0  0  0  0
    7.0630   -1.4279   -1.1115 H   0  0  0  0  0
    5.3623   -1.8801   -1.1858 H   0  0  0  0  0
    3.9745   -0.5387   -3.5657 H   0  0  0  0  0
    4.4055    2.0893   -4.1869 H   0  0  0  0  0
    8.0869    2.8122   -2.7173 H   0  0  0  0  0
    6.6699    3.6504   -2.0907 H   0  0  0  0  0
    7.2434    1.9714   -5.6264 H   0  0  0  0  0
    8.8013    2.7502   -5.2676 H   0  0  0  0  0
    8.3251    4.5013   -6.9815 H   0  0  0  0  0
    6.7351    3.7893   -7.2927 H   0  0  0  0  0
    7.8547    1.6584   -8.0047 H   0  0  0  0  0
    9.4308    2.4184   -7.7656 H   0  0  0  0  0
    8.7543    4.2233   -9.4175 H   0  0  0  0  0
    7.2564    3.3495   -9.7233 H   0  0  0  0  0
   10.0879    2.3128  -10.1966 H   0  0  0  0  0
    9.0079    2.9467  -11.4363 H   0  0  0  0  0
    7.3615    1.1025  -10.9378 H   0  0  0  0  0
    8.4970    0.3934   -9.7893 H   0  0  0  0  0
   10.7414   -0.7454  -10.3966 H   0  0  0  0  0
   11.3279    0.7733  -11.0984 H   0  0  0  0  0
   11.6531   -3.0858  -11.8317 H   0  0  0  0  0
   13.4535   -3.2188  -13.8900 H   0  0  0  0  0
   13.7826    0.6454  -15.0641 H   0  0  0  0  0
   13.6842   -0.8809  -15.9386 H   0  0  0  0  0
   15.8425   -0.6051  -16.8903 H   0  0  0  0  0
   17.2466   -0.3090  -15.8771 H   0  0  0  0  0
   16.0264    0.9664  -16.0814 H   0  0  0  0  0
   15.5012   -0.4649  -12.6938 H   0  0  0  0  0
   15.7301    1.0663  -13.5686 H   0  0  0  0  0
   17.0252   -0.1458  -13.4908 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
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  8 10  1  0  0  0
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 28 64  1  0  0  0
M  END

>  <Chemical Name>
BRN 5356615

>  <PubChem CID>
3071775

>  <Formula>
C22H36N2O2S2

>  <Molecular Weight>
424.662000

>  <IUPAC Name>
1-[5-[6-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]hexylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCCCCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C22H36N2O2S2/c1-23(2)15-19-9-11-21(25-19)17-27-13-7-5-6-8-14-28-18-22-12-10-20(26-22)16-24(3)4/h9-12H,5-8,13-18H2,1-4H3

>  <InChI Key>
ZRDXAEKCZXNZEQ-UHFFFAOYSA-N

