
 BRN 5352858

 52 53  0  0  0  0  0  0  0  0999 V2000
    0.9540    0.0689   -4.1844 C   0  0  0  0  0
    0.2818    0.9833   -3.2559 N   0  0  0  0  0
   -0.9364    0.3540   -2.7418 C   0  0  0  0  0
    1.1643    1.3440   -2.1292 C   0  0  0  0  0
    2.3554    2.1378   -2.5494 C   0  0  0  0  0
    2.5127    3.3605   -3.1694 C   0  0  0  0  0
    3.9072    3.5697   -3.2932 C   0  0  0  0  0
    4.5205    2.4592   -2.7484 C   0  0  0  0  0
    3.5758    1.5888   -2.2862 O   0  0  0  0  0
    5.9357    2.0603   -2.5466 C   0  0  0  0  0
    6.8326    1.9639   -4.1277 S   0  0  0  0  0
    8.4350    1.3784   -3.4832 C   0  0  0  0  0
    9.4386    1.2473   -4.6259 C   0  0  0  0  0
   11.0222    0.6108   -3.9768 S   0  0  0  0  0
   11.9555    0.4727   -5.5367 C   0  0  0  0  0
   12.1280    1.7735   -6.2291 C   0  0  0  0  0
   11.6891    2.2644   -7.4415 C   0  0  0  0  0
   12.1769    3.5903   -7.5373 C   0  0  0  0  0
   12.8975    3.8260   -6.3848 C   0  0  0  0  0
   12.8736    2.7186   -5.5886 O   0  0  0  0  0
   13.6384    5.0101   -5.8585 C   0  0  0  0  0
   15.0722    5.0727   -6.1933 N   0  0  0  0  0
   15.3146    5.2219   -7.6238 C   0  0  0  0  0
   15.8199    3.9439   -5.6438 C   0  0  0  0  0
    1.8175    0.5461   -4.6596 H   0  0  0  0  0
    0.2778   -0.2120   -5.0001 H   0  0  0  0  0
    1.2928   -0.8489   -3.6901 H   0  0  0  0  0
   -1.6183    0.1031   -3.5630 H   0  0  0  0  0
   -1.4801    1.0436   -2.0855 H   0  0  0  0  0
   -0.7244   -0.5626   -2.1789 H   0  0  0  0  0
    1.4843    0.4474   -1.5820 H   0  0  0  0  0
    0.6051    1.9649   -1.4169 H   0  0  0  0  0
    1.7129    4.0092   -3.4966 H   0  0  0  0  0
    4.4084    4.4192   -3.7345 H   0  0  0  0  0
    5.9853    1.0829   -2.0553 H   0  0  0  0  0
    6.4302    2.7929   -1.8999 H   0  0  0  0  0
    8.2756    0.4110   -2.9938 H   0  0  0  0  0
    8.7933    2.0974   -2.7382 H   0  0  0  0  0
    9.6075    2.2250   -5.0874 H   0  0  0  0  0
    9.0713    0.5500   -5.3862 H   0  0  0  0  0
   11.4469   -0.2477   -6.1860 H   0  0  0  0  0
   12.9398    0.0540   -5.3020 H   0  0  0  0  0
   11.0832    1.7344   -8.1633 H   0  0  0  0  0
   12.0247    4.2918   -8.3453 H   0  0  0  0  0
   13.1493    5.9245   -6.2188 H   0  0  0  0  0
   13.5286    5.0434   -4.7665 H   0  0  0  0  0
   15.0237    4.3365   -8.1994 H   0  0  0  0  0
   16.3783    5.4082   -7.8100 H   0  0  0  0  0
   14.7735    6.0876   -8.0209 H   0  0  0  0  0
   15.6446    3.8473   -4.5668 H   0  0  0  0  0
   16.8959    4.1069   -5.7708 H   0  0  0  0  0
   15.5667    2.9930   -6.1247 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
M  END

>  <Chemical Name>
BRN 5352858

>  <PubChem CID>
3088389

>  <Formula>
C18H28N2O2S2

>  <Molecular Weight>
368.554000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)CSCCSCC2=CC=C(O2)CN(C)C

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)CSCCSCC2=CC=C(O2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3

>  <InChI Key>
BFYPXOUNPUWUNL-UHFFFAOYSA-N

