2-phenylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[2-(1-piperidylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[[2-(1-piperidinylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[2-(piperidinomethyl)benzyl]nicotinamide Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H27N3OS/c29-24(23-14-9-15-26-25(23)30-22-12-3-1-4-13-22)27-18-20-10-5-6-11-21(20)19-28-16-7-2-8-17-28/h1,3-6,9-15H,2,7-8,16-19H2,(H,27,29)