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

Systemtic Name: 4-[[(4-sulfamoylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-sulfamoylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-sulfamoylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-sulfamoylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-sulfamoylphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C15H15N3O4S2/c16-24(21,22)13-7-5-12(6-8-13)18-15(23)17-9-10-1-3-11(4-2-10)14(19)20/h1-8H,9H2,(H,19,20)(H2,16,21,22)(H2,17,18,23)