
 SCHEMBL7085534

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.2672   -1.7175   -0.1536 C   0  0  0  0  0
   -0.8271   -0.4165   -0.6906 C   0  0  0  0  0
   -0.0503    0.6568   -0.0535 N   0  0  0  0  0
    0.6982    0.0514    1.0124 C   0  0  0  0  0
    1.7189    0.7224    2.1289 S   0  0  0  0  0
    0.4599   -1.3148    1.0074 N   0  0  0  0  0
   -0.2208    2.0169   -0.4735 C   0  0  0  0  0
   -1.2184    2.4476   -1.7632 S   0  0  0  0  0
    0.4986    2.9389    0.2908 N   0  0  0  0  0
    0.4862    4.3391    0.2937 C   0  0  0  0  0
   -0.2389    5.0393   -0.4041 O   0  0  0  0  0
    1.3958    4.9227    1.2618 C   0  0  0  0  0
    1.5407    6.2272    1.6954 C   0  0  0  0  0
    2.5688    6.2232    2.6677 C   0  0  0  0  0
    3.0012    4.9217    2.7593 C   0  0  0  0  0
    2.2969    4.1255    1.9140 O   0  0  0  0  0
   -1.0391   -2.4446    0.1106 H   0  0  0  0  0
    0.4403   -2.1721   -0.8541 H   0  0  0  0  0
   -1.8758   -0.2937   -0.3936 H   0  0  0  0  0
   -0.7592   -0.3800   -1.7820 H   0  0  0  0  0
    0.9782   -1.9388    1.6164 H   0  0  0  0  0
    1.1291    2.5436    0.9809 H   0  0  0  0  0
    0.9548    7.0692    1.3513 H   0  0  0  0  0
    2.9471    7.0642    3.2319 H   0  0  0  0  0
    3.7583    4.4236    3.3501 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  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 21  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL7085534

>  <PubChem CID>
9899809

>  <Formula>
C9H9N3O2S2

>  <Molecular Weight>
255.310000

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

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC=CO2

>  <Isomeric SMILES>
C1CN(C(=S)N1)C(=S)NC(=O)C2=CC=CO2

>  <InChI Std. ID>
InChI=1S/C9H9N3O2S2/c13-7(6-2-1-5-14-6)11-9(16)12-4-3-10-8(12)15/h1-2,5H,3-4H2,(H,10,15)(H,11,13,16)

>  <InChI Key>
FJDKFXSWBQTFBR-UHFFFAOYSA-N

