6-[(4-carbamothioylphenyl)carbonylamino]-5-[(4-methoxyphenyl)carbonylamino]pyridine-2-carboxylic acid

Systemtic Name: 6-[(4-carbamothioylphenyl)carbonylamino]-5-[(4-methoxyphenyl)carbonylamino]pyridine-2-carboxylic acid Openeye Name: 6-[(4-carbamothioylbenzoyl)amino]-5-[(4-methoxybenzoyl)amino]pyridine-2-carboxylic acid CAS Name: 6-[[(4-carbamothioylphenyl)-oxomethyl]amino]-5-[[(4-methoxyphenyl)-oxomethyl]amino]-2-pyridinecarboxylic acid IUPAC Name: 6-[(4-carbamothioylbenzoyl)amino]-5-[(4-methoxybenzoyl)amino]pyridine-2-carboxylic acid Traditional Name: 5-(p-anisoylamino)-6-[(4-thiocarbamoylbenzoyl)amino]picolinic 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(N=C(C=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S/c1-31-15-8-6-14(7-9-15)20(27)25-16-10-11-17(22(29)30)24-19(16)26-21(28)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)