2-(pyridin-4-ylmethylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 2-(pyridin-4-ylmethylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 2-(4-pyridylmethylsulfamoylmethyl)benzenecarbothioamide CAS Name: 2-(pyridin-4-ylmethylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 2-(pyridin-4-ylmethylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 2-(4-pyridylmethylsulfamoylmethyl)thiobenzamide Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S2/c15-14(20)13-4-2-1-3-12(13)10-21(18,19)17-9-11-5-7-16-8-6-11/h1-8,17H,9-10H2,(H2,15,20)