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

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

InChI

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