4-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[4-(2-pyridylsulfamoyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[4-(2-pyridinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[4-(2-pyridylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N4O4S2/c24-18(25)13-4-6-14(7-5-13)21-19(28)22-15-8-10-16(11-9-15)29(26,27)23-17-3-1-2-12-20-17/h1-12H,(H,20,23)(H,24,25)(H2,21,22,28)