5-[(4-carbamothioylphenyl)carbonylamino]-6-[(3,4-dimethoxyphenyl)carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 5-[(4-carbamothioylphenyl)carbonylamino]-6-[(3,4-dimethoxyphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(3,4-dimethoxybenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[[(4-carbamothioylphenyl)-oxomethyl]amino]-6-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(3,4-dimethoxybenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 5-[(4-thiocarbamoylbenzoyl)amino]-6-(veratroylamino)nicotinic acid Formula: C23H20N4O6S MolecularWeight: 480.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O6S/c1-32-17-8-7-14(10-18(17)33-2)22(29)27-20-16(9-15(11-25-20)23(30)31)26-21(28)13-5-3-12(4-6-13)19(24)34/h3-11H,1-2H3,(H2,24,34)(H,26,28)(H,30,31)(H,25,27,29)