
 SCHEMBL7084453

 28 29  0  0  0  0  0  0  0  0999 V2000
   -5.8845    5.2949   -2.2249 C   0  0  0  0  0
   -5.2268    3.9654   -1.9124 C   0  0  0  0  0
   -3.8217    4.1047   -2.3172 N   0  0  0  0  0
   -3.5897    5.5003   -2.5607 C   0  0  0  0  0
   -2.1975    6.2987   -2.9763 S   0  0  0  0  0
   -4.7805    6.1881   -2.3873 N   0  0  0  0  0
   -2.9623    2.9599   -2.3647 C   0  0  0  0  0
   -3.4584    1.4205   -1.8963 S   0  0  0  0  0
   -1.6782    3.2523   -2.8322 N   0  0  0  0  0
   -0.6275    2.4061   -3.1850 C   0  0  0  0  0
   -0.7131    1.2131   -3.4491 O   0  0  0  0  0
    0.6786    3.0839   -3.3889 C   0  0  0  0  0
    1.4732    2.6838   -4.4675 C   0  0  0  0  0
    2.6932    3.3110   -4.6824 C   0  0  0  0  0
    3.1424    4.3189   -3.8350 C   0  0  0  0  0
    2.3619    4.7050   -2.7453 C   0  0  0  0  0
    1.1291    4.0867   -2.5177 C   0  0  0  0  0
    3.4495    2.9429   -5.7245 F   0  0  0  0  0
   -6.4341    5.2612   -3.1709 H   0  0  0  0  0
   -6.5465    5.6466   -1.4298 H   0  0  0  0  0
   -5.7222    3.1459   -2.4422 H   0  0  0  0  0
   -5.2508    3.7617   -0.8355 H   0  0  0  0  0
   -4.8580    7.1726   -2.6192 H   0  0  0  0  0
   -1.4786    4.2418   -2.9103 H   0  0  0  0  0
    1.1477    1.8955   -5.1405 H   0  0  0  0  0
    4.1016    4.7904   -4.0263 H   0  0  0  0  0
    2.7166    5.4817   -2.0717 H   0  0  0  0  0
    0.5453    4.3789   -1.6482 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  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 23  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7084453

>  <PubChem CID>
9835479

>  <Formula>
C11H10FN3OS2

>  <Molecular Weight>
283.339000

>  <IUPAC Name>
3-fluoro-N-(2-sulfanylideneimidazolidine-1-carbothioyl)benzamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C11H10FN3OS2/c12-8-3-1-2-7(6-8)9(16)14-11(18)15-5-4-13-10(15)17/h1-3,6H,4-5H2,(H,13,17)(H,14,16,18)

>  <InChI Key>
CQGZJRRRYFLKDR-UHFFFAOYSA-N

