4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H13N3O4S2/c15-23(20,21)12-7-5-11(6-8-12)17-14(22)16-10-3-1-9(2-4-10)13(18)19/h1-8H,(H,18,19)(H2,15,20,21)(H2,16,17,22)