
 SCHEMBL7087976

 34 36  0  0  0  0  0  0  0  0999 V2000
    8.1567    5.0099   -0.2479 C   0  0  0  0  0
    6.8118    4.3871   -0.5650 C   0  0  0  0  0
    6.0094    5.4508   -1.1838 N   0  0  0  0  0
    6.7050    6.6868   -0.9526 C   0  0  0  0  0
    6.2939    8.2420   -1.3508 S   0  0  0  0  0
    7.8976    6.4139   -0.3008 N   0  0  0  0  0
    4.7430    5.1482   -1.7862 C   0  0  0  0  0
    4.1236    3.5859   -1.8830 S   0  0  0  0  0
    4.0939    6.2752   -2.3005 N   0  0  0  0  0
    2.8477    6.4197   -2.9120 C   0  0  0  0  0
    1.9161    5.6276   -2.8539 O   0  0  0  0  0
    2.6322    7.7297   -3.5911 C   0  0  0  0  0
    1.3520    8.2967   -3.5688 C   0  0  0  0  0
    1.1091    9.5421   -4.1713 C   0  0  0  0  0
   -0.1656   10.1300   -4.1490 C   0  0  0  0  0
   -0.3879   11.3736   -4.7431 C   0  0  0  0  0
    0.6600   12.0454   -5.3657 C   0  0  0  0  0
    1.9320   11.4728   -5.4014 C   0  0  0  0  0
    2.1716   10.2217   -4.8122 C   0  0  0  0  0
    3.4431    9.6298   -4.8524 C   0  0  0  0  0
    3.6714    8.3875   -4.2563 C   0  0  0  0  0
    8.5444    4.7284    0.7340 H   0  0  0  0  0
    8.9003    4.7764   -1.0165 H   0  0  0  0  0
    6.3017    4.0727    0.3533 H   0  0  0  0  0
    6.9242    3.5219   -1.2251 H   0  0  0  0  0
    8.5866    7.1406   -0.1386 H   0  0  0  0  0
    4.6323    7.1285   -2.2265 H   0  0  0  0  0
    0.5432    7.7644   -3.0706 H   0  0  0  0  0
   -0.9980    9.6212   -3.6670 H   0  0  0  0  0
   -1.3801   11.8169   -4.7186 H   0  0  0  0  0
    0.4880   13.0147   -5.8263 H   0  0  0  0  0
    2.7372   12.0127   -5.8950 H   0  0  0  0  0
    4.2669   10.1321   -5.3560 H   0  0  0  0  0
    4.6608    7.9453   -4.3384 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 26  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
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 12 13  2  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
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 20 21  2  0  0  0
 20 33  1  0  0  0
 21 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7087976

>  <PubChem CID>
9879918

>  <Formula>
C15H13N3OS2

>  <Molecular Weight>
315.409000

>  <IUPAC Name>
N-(2-sulfanylideneimidazolidine-1-carbothioyl)naphthalene-2-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C15H13N3OS2/c19-13(17-15(21)18-8-7-16-14(18)20)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,16,20)(H,17,19,21)

>  <InChI Key>
AQISVQJKOVWOLO-UHFFFAOYSA-N

