3-[(4-carbamothioylphenyl)carbonylamino]-4-[(2-carboxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-carbamothioylphenyl)carbonylamino]-4-[(2-carboxyphenyl)carbonylamino]benzoic acid Openeye Name: 3-[(4-carbamothioylbenzoyl)amino]-4-[(2-carboxybenzoyl)amino]benzoic acid CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-[[(2-carboxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-carbamothioylbenzoyl)amino]-4-[(2-carboxybenzoyl)amino]benzoic acid Traditional Name: 4-[(2-carboxybenzoyl)amino]-3-[(4-thiocarbamoylbenzoyl)amino]benzoic acid Formula: C23H17N3O6S MolecularWeight: 463.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17N3O6S/c24-19(33)12-5-7-13(8-6-12)20(27)26-18-11-14(22(29)30)9-10-17(18)25-21(28)15-3-1-2-4-16(15)23(31)32/h1-11H,(H2,24,33)(H,25,28)(H,26,27)(H,29,30)(H,31,32)