methyl 3-[(4-carbamothioylphenyl)carbonylamino]-4-[(4-methoxyphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 3-[(4-carbamothioylphenyl)carbonylamino]-4-[(4-methoxyphenyl)sulfonylamino]benzoate Openeye Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-[(4-methoxyphenyl)sulfonylamino]benzoate CAS Name: 3-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-[(4-methoxyphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamothioylbenzoyl)amino]-4-[(4-methoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-[(4-methoxyphenyl)sulfonylamino]-3-[(4-thiocarbamoylbenzoyl)amino]benzoic acid methyl ester Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S2/c1-31-17-8-10-18(11-9-17)34(29,30)26-19-12-7-16(23(28)32-2)13-20(19)25-22(27)15-5-3-14(4-6-15)21(24)33/h3-13,26H,1-2H3,(H2,24,33)(H,25,27)