ethyl 4-[2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(2-ethyl-6-methylphenyl)carbamothioyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC(CC2)C3=C(C=CC(=N3)C)C(=O)N4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C29H39N5O3S/c1-5-22-9-7-8-20(3)25(22)31-28(38)33-14-12-23(13-15-33)26-24(11-10-21(4)30-26)27(35)32-16-18-34(19-17-32)29(36)37-6-2/h7-11,23H,5-6,12-19H2,1-4H3,(H,31,38)