4-(pyrimidin-2-ylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 4-(pyrimidin-2-ylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 4-(pyrimidin-2-ylsulfamoylmethyl)benzenecarbothioamide CAS Name: 4-(2-pyrimidinylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 4-(pyrimidin-2-ylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 4-(2-pyrimidylsulfamoylmethyl)thiobenzamide Formula: C12H12N4O2S2 MolecularWeight: 308.37928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H12N4O2S2/c13-11(19)10-4-2-9(3-5-10)8-20(17,18)16-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,19)(H,14,15,16)