3-(pyridin-4-ylmethylsulfamoyl)benzenecarbothioamide

Systemtic Name: 3-(pyridin-4-ylmethylsulfamoyl)benzenecarbothioamide Openeye Name: 3-(4-pyridylmethylsulfamoyl)benzenecarbothioamide CAS Name: 3-(pyridin-4-ylmethylsulfamoyl)benzenecarbothioamide IUPAC Name: 3-(pyridin-4-ylmethylsulfamoyl)benzenecarbothioamide Traditional Name: 3-(4-pyridylmethylsulfamoyl)thiobenzamide Formula: C13H13N3O2S2 MolecularWeight: 307.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=NC=C2)C(=S)N

InChI

InChI=1S/C13H13N3O2S2/c14-13(19)11-2-1-3-12(8-11)20(17,18)16-9-10-4-6-15-7-5-10/h1-8,16H,9H2,(H2,14,19)