methyl 5-[(4-carbamothioylphenyl)carbonylamino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylate

Systemtic Name: methyl 5-[(4-carbamothioylphenyl)carbonylamino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylate Openeye Name: methyl 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylate CAS Name: 5-[[(4-carbamothioylphenyl)-oxomethyl]amino]-6-[(4-methoxyphenyl)sulfonylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylate Traditional Name: 6-[(4-methoxyphenyl)sulfonylamino]-5-[(4-thiocarbamoylbenzoyl)amino]nicotinic acid methyl ester Formula: C22H20N4O6S2 MolecularWeight: 500.5474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=N2)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=N2)C(=O)OC)NC(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C22H20N4O6S2/c1-31-16-7-9-17(10-8-16)34(29,30)26-20-18(11-15(12-24-20)22(28)32-2)25-21(27)14-5-3-13(4-6-14)19(23)33/h3-12H,1-2H3,(H2,23,33)(H,24,26)(H,25,27)