4-(pyridin-4-ylmethylsulfamoyl)benzenecarbothioamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)S(=O)(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)S(=O)(=O)NCC2=CC=NC=C2

InChI

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