4-(pyridin-3-ylmethylsulfamoylmethyl)benzenecarbothioamide

Systemtic Name: 4-(pyridin-3-ylmethylsulfamoylmethyl)benzenecarbothioamide Openeye Name: 4-(3-pyridylmethylsulfamoylmethyl)benzenecarbothioamide CAS Name: 4-(3-pyridinylmethylsulfamoylmethyl)benzenecarbothioamide IUPAC Name: 4-(pyridin-3-ylmethylsulfamoylmethyl)benzenecarbothioamide Traditional Name: 4-(3-pyridylmethylsulfamoylmethyl)thiobenzamide Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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