ethyl 1-[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCCCC4C

InChI

InChI=1S/C28H38N4O3S/c1-4-24-18-25(32-15-7-6-8-20(32)3)30-28(29-24)36-19-21-9-11-22(12-10-21)26(33)31-16-13-23(14-17-31)27(34)35-5-2/h9-12,18,20,23H,4-8,13-17,19H2,1-3H3