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

Systemtic Name: methyl 5-[[4-(3,5-dimethylphenyl)piperazin-1-yl]carbonylsulfanylamino]-2-ethyl-6-methoxy-pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]sulfanylamino]-2-ethyl-6-methoxy-pyridine-3-carboxylate CAS Name: 5-[[[[4-(3,5-dimethylphenyl)-1-piperazinyl]-oxomethyl]thio]amino]-2-ethyl-6-methoxy-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]sulfanylamino]-2-ethyl-6-methoxypyridine-3-carboxylate Traditional Name: 5-[[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]thio]amino]-2-ethyl-6-methoxy-nicotinic acid methyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-6-19-18(22(28)31-5)14-20(21(24-19)30-4)25-32-23(29)27-9-7-26(8-10-27)17-12-15(2)11-16(3)13-17/h11-14,25H,6-10H2,1-5H3