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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(=O)OC)C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(=O)OC)C)OC)C

InChI

InChI=1S/C22H28N4O4S/c1-14-10-15(2)12-17(11-14)25-6-8-26(9-7-25)22(28)31-24-19-13-18(21(27)30-5)16(3)23-20(19)29-4/h10-13,24H,6-9H2,1-5H3