N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyridin-4-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyridin-4-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(4-pyridylsulfanyl)-1-piperidyl]propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-4-ylthio)-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-pyridin-4-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(4-pyridylthio)piperidino]propyl]isonipecotamide Formula: C27H35ClN4O2S MolecularWeight: 515.1104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=NC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=NC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H35ClN4O2S/c1-21(33)31-18-8-22(9-19-31)27(34)32(24-5-2-4-23(28)20-24)15-3-14-30-16-10-26(11-17-30)35-25-6-12-29-13-7-25/h2,4-7,12-13,20,22,26H,3,8-11,14-19H2,1H3