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

Systemtic Name: ethyl 4-[6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-benzylsulfanylacetyl)-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-methyl-2-[1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-benzylsulfanylacetyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[2-(benzylthio)acetyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O4S/c1-3-36-28(35)32-17-15-31(16-18-32)27(34)24-10-9-21(2)29-26(24)23-11-13-30(14-12-23)25(33)20-37-19-22-7-5-4-6-8-22/h4-10,23H,3,11-20H2,1-2H3