1-(3-phenylpropanoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-phenylpropanoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3-phenylpropanoyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(1-oxo-3-phenylpropyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropanoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-hydrocinnamoyl-N-[4-(3-pyridylmethylthio)phenyl]isonipecotamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c31-26(13-8-21-5-2-1-3-6-21)30-17-14-23(15-18-30)27(32)29-24-9-11-25(12-10-24)33-20-22-7-4-16-28-19-22/h1-7,9-12,16,19,23H,8,13-15,17-18,20H2,(H,29,32)