6-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide

Systemtic Name: 6-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide Openeye Name: 6-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide CAS Name: 6-[(4-sulfamoylphenyl)methylamino]-3-pyridinecarbothioamide IUPAC Name: 6-[(4-sulfamoylphenyl)methylamino]pyridine-3-carbothioamide Traditional Name: 6-[(4-sulfamoylbenzyl)amino]thionicotinamide Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)C(=S)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)C(=S)N)S(=O)(=O)N

InChI

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