4-[(4-carbamothioylphenyl)carbonylamino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(4-carbamothioylphenyl)carbonylamino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[(4-carbamothioylbenzoyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-[[(4-carbamothioylphenyl)-oxomethyl]amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[(4-carbamothioylbenzoyl)amino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]-4-[(4-thiocarbamoylbenzoyl)amino]benzoic acid Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C22H19N3O6S2/c1-31-16-7-9-17(10-8-16)33(29,30)25-19-12-15(22(27)28)6-11-18(19)24-21(26)14-4-2-13(3-5-14)20(23)32/h2-12,25H,1H3,(H2,23,32)(H,24,26)(H,27,28)