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

Systemtic Name: 5-[(4-carbamothioylphenyl)carbonylamino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid CAS Name: 5-[[(4-carbamothioylphenyl)-oxomethyl]amino]-6-[(4-methoxyphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-carbamothioylbenzoyl)amino]-6-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(4-methoxyphenyl)sulfonylamino]-5-[(4-thiocarbamoylbenzoyl)amino]nicotinic acid Formula: C21H18N4O6S2 MolecularWeight: 486.52082

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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)O)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)O)NC(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C21H18N4O6S2/c1-31-15-6-8-16(9-7-15)33(29,30)25-19-17(10-14(11-23-19)21(27)28)24-20(26)13-4-2-12(3-5-13)18(22)32/h2-11H,1H3,(H2,22,32)(H,23,25)(H,24,26)(H,27,28)