methyl 2-ethyl-6-methoxy-5-[[4-(4-methylphenyl)piperazin-1-yl]carbonylsulfanylamino]pyridine-3-carboxylate

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(4-methylphenyl)piperazin-1-yl]carbonylsulfanylamino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(p-tolyl)piperazine-1-carbonyl]sulfanylamino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[[[4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]thio]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(4-methylphenyl)piperazine-1-carbonyl]sulfanylamino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[[4-(p-tolyl)piperazine-1-carbonyl]thio]amino]nicotinic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)OC)NSC(=O)N2CCN(CC2)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NSC(=O)N2CCN(CC2)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H28N4O4S/c1-5-18-17(21(27)30-4)14-19(20(23-18)29-3)24-31-22(28)26-12-10-25(11-13-26)16-8-6-15(2)7-9-16/h6-9,14,24H,5,10-13H2,1-4H3