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

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-thiophen-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-thienylsulfanyl)-1-piperidyl]propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(thiophen-2-ylthio)-1-piperidinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-thiophen-2-ylsulfanylpiperidin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-thienylthio)piperidino]propyl]isonipecotamide Formula: C26H34ClN3O2S2 MolecularWeight: 520.15006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=CS3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)SC3=CC=CS3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H34ClN3O2S2/c1-20(31)29-16-8-21(9-17-29)26(32)30(23-6-2-5-22(27)19-23)13-4-12-28-14-10-24(11-15-28)34-25-7-3-18-33-25/h2-3,5-7,18-19,21,24H,4,8-17H2,1H3