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

Systemtic Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]pyridine-3-carboxylate Openeye Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate CAS Name: 2-ethyl-6-methoxy-5-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-6-methoxy-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate Traditional Name: 2-ethyl-6-methoxy-5-[[4-[2-(methylthio)phenyl]piperazine-1-carbothioyl]amino]nicotinic acid methyl ester Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC

InChI

InChI=1S/C22H28N4O3S2/c1-5-16-15(21(27)29-3)14-17(20(23-16)28-2)24-22(30)26-12-10-25(11-13-26)18-8-6-7-9-19(18)31-4/h6-9,14H,5,10-13H2,1-4H3,(H,24,30)