N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyrazin-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyrazin-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-pyrazin-2-ylsulfanyl-1-piperidyl)propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyrazinylthio)-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-pyrazin-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyrazin-2-ylthio)piperidino]propyl]isonipecotamide Formula: C26H34ClN5O2S MolecularWeight: 516.09846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN5O2S/c1-20(33)31-16-6-21(7-17-31)26(34)32(23-5-2-4-22(27)18-23)13-3-12-30-14-8-24(9-15-30)35-25-19-28-10-11-29-25/h2,4-5,10-11,18-19,21,24H,3,6-9,12-17H2,1H3