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

Systemtic Name: 4-[(4-carbamothioylphenyl)carbonylamino]-3-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 4-[(4-carbamothioylbenzoyl)amino]-3-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 4-[[(4-carbamothioylphenyl)-oxomethyl]amino]-3-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-carbamothioylbenzoyl)amino]-3-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 3-(p-anisoylamino)-4-[(4-thiocarbamoylbenzoyl)amino]benzoic acid Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19N3O5S/c1-31-17-9-6-15(7-10-17)22(28)26-19-12-16(23(29)30)8-11-18(19)25-21(27)14-4-2-13(3-5-14)20(24)32/h2-12H,1H3,(H2,24,32)(H,25,27)(H,26,28)(H,29,30)