3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(4-sulfamoylphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-sulfamoylphenyl)thiocarbamoylamino]benzoic acid Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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