2-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide

Systemtic Name: 2-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide Openeye Name: 2-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide CAS Name: 2-[(4-sulfamoylphenyl)methylamino]-3-pyridinecarbothioamide IUPAC Name: 2-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide Traditional Name: 2-[(4-sulfamoylbenzyl)amino]thionicotinamide Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S2/c14-12(20)11-2-1-7-16-13(11)17-8-9-3-5-10(6-4-9)21(15,18)19/h1-7H,8H2,(H2,14,20)(H,16,17)(H2,15,18,19)