
 SCHEMBL7090496

 28 29  0  0  0  0  0  0  0  0999 V2000
   -3.3269    2.0744   -4.4424 C   0  0  0  0  0
   -2.1112    2.9403   -4.1783 C   0  0  0  0  0
   -1.9731    2.9973   -2.7170 N   0  0  0  0  0
   -3.2086    2.5157   -2.1623 C   0  0  0  0  0
   -3.7034    2.3992   -0.5845 S   0  0  0  0  0
   -4.0310    2.1011   -3.1990 N   0  0  0  0  0
   -0.7950    3.5506   -2.1168 C   0  0  0  0  0
    0.4943    4.1576   -3.0122 S   0  0  0  0  0
   -0.8210    3.5114   -0.7192 N   0  0  0  0  0
    0.0728    3.9978    0.2344 C   0  0  0  0  0
    0.9835    4.7956    0.0487 O   0  0  0  0  0
   -0.2190    3.5617    1.6266 C   0  0  0  0  0
   -0.5931    2.2393    1.9129 C   0  0  0  0  0
   -0.8838    1.8713    3.2284 C   0  0  0  0  0
   -0.7914    2.8179    4.2442 C   0  0  0  0  0
   -0.4013    4.1255    3.9741 C   0  0  0  0  0
   -0.1068    4.4988    2.6623 C   0  0  0  0  0
   -1.0771    2.4616    5.5028 F   0  0  0  0  0
   -3.9589    2.4463   -5.2521 H   0  0  0  0  0
   -3.0442    1.0361   -4.6436 H   0  0  0  0  0
   -2.2752    3.9626   -4.5394 H   0  0  0  0  0
   -1.2195    2.5288   -4.6603 H   0  0  0  0  0
   -4.9091    1.6269   -3.0160 H   0  0  0  0  0
   -1.6401    3.0548   -0.3378 H   0  0  0  0  0
   -0.6427    1.4862    1.1305 H   0  0  0  0  0
   -1.1775    0.8541    3.4696 H   0  0  0  0  0
   -0.3286    4.8442    4.7844 H   0  0  0  0  0
    0.2021    5.5195    2.4440 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 26  1  0  0  0
 15 16  1  0  0  0
 15 18  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>
SCHEMBL7090496

>  <PubChem CID>
9965602

>  <Formula>
C11H10FN3OS2

>  <Molecular Weight>
283.339000

>  <IUPAC Name>
4-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=C(C=C2)F

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

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

>  <InChI Key>
CAMNDSAYDJTOEO-UHFFFAOYSA-N

