
 SCHEMBL7084798

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.4095    2.7311    3.7673 C   0  0  0  0  0
    3.8379    2.8540    2.3191 C   0  0  0  0  0
    3.5509    4.2420    1.9295 N   0  0  0  0  0
    2.7037    4.7925    2.9513 C   0  0  0  0  0
    1.9816    6.2789    3.0636 S   0  0  0  0  0
    2.5367    3.8470    3.9523 N   0  0  0  0  0
    4.0453    4.7651    0.6874 C   0  0  0  0  0
    5.0241    3.8727   -0.3529 S   0  0  0  0  0
    3.6358    6.0800    0.4369 N   0  0  0  0  0
    3.9509    6.9568   -0.6091 C   0  0  0  0  0
    4.8051    6.7890   -1.4672 O   0  0  0  0  0
    3.1776    8.2318   -0.5994 C   0  0  0  0  0
    3.1524    8.9673    0.5966 C   0  0  0  0  0
    2.4305   10.1522    0.6747 C   0  0  0  0  0
    1.7521   10.6221   -0.4466 C   0  0  0  0  0
    1.7915    9.9253   -1.6646 C   0  0  0  0  0
    1.1197   10.4402   -2.7858 C   0  0  0  0  0
    1.1491    9.7748   -4.0095 C   0  0  0  0  0
    1.8448    8.5793   -4.1262 C   0  0  0  0  0
    2.5120    8.0495   -3.0187 C   0  0  0  0  0
    2.5127    8.7068   -1.7637 C   0  0  0  0  0
    2.8896    1.7960    3.9891 H   0  0  0  0  0
    4.2572    2.8504    4.4495 H   0  0  0  0  0
    3.2354    2.1986    1.6787 H   0  0  0  0  0
    4.8944    2.5981    2.1984 H   0  0  0  0  0
    2.0689    4.0811    4.8216 H   0  0  0  0  0
    2.9205    6.4126    1.0705 H   0  0  0  0  0
    3.7081    8.6331    1.4693 H   0  0  0  0  0
    2.4031   10.7156    1.6040 H   0  0  0  0  0
    1.1962   11.5549   -0.3659 H   0  0  0  0  0
    0.5696   11.3766   -2.7160 H   0  0  0  0  0
    0.6336   10.1929   -4.8700 H   0  0  0  0  0
    1.8791    8.0571   -5.0792 H   0  0  0  0  0
    3.0541    7.1146   -3.1559 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
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7084798

>  <PubChem CID>
9966680

>  <Formula>
C15H13N3OS2

>  <Molecular Weight>
315.409000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC=CC3=CC=CC=C32

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

>  <InChI Key>
DTCMRPVOJDZFKN-UHFFFAOYSA-N

