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

Systemtic Name: 5-[(4-carbamothioylphenyl)carbonylamino]-6-[(4-methoxyphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 5-[[(4-carbamothioylphenyl)-oxomethyl]amino]-6-[[(4-methoxyphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 6-(p-anisoylamino)-5-[(4-thiocarbamoylbenzoyl)amino]nicotinic acid Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S/c1-31-16-8-6-14(7-9-16)21(28)26-19-17(10-15(11-24-19)22(29)30)25-20(27)13-4-2-12(3-5-13)18(23)32/h2-11H,1H3,(H2,23,32)(H,25,27)(H,29,30)(H,24,26,28)