2-[[2-[(4-carbamothioylphenyl)carbonylamino]-4-methoxycarbonyl-phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(4-carbamothioylphenyl)carbonylamino]-4-methoxycarbonyl-phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-4-methoxycarbonyl-phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-methoxycarbonylanilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-4-methoxycarbonylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-carbomethoxy-2-[(4-thiocarbamoylbenzoyl)amino]phenyl]carbamoyl]benzoic acid Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C24H19N3O6S/c1-33-24(32)15-10-11-18(26-22(29)16-4-2-3-5-17(16)23(30)31)19(12-15)27-21(28)14-8-6-13(7-9-14)20(25)34/h2-12H,1H3,(H2,25,34)(H,26,29)(H,27,28)(H,30,31)