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

Systemtic Name: 2-phenylsulfanyl-N-[(3-piperidin-1-ylcarbonylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-[[3-[oxo(1-piperidinyl)methyl]phenyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[3-(piperidine-1-carbonyl)benzyl]nicotinamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c29-23(22-13-8-14-26-24(22)31-21-11-3-1-4-12-21)27-18-19-9-7-10-20(17-19)25(30)28-15-5-2-6-16-28/h1,3-4,7-14,17H,2,5-6,15-16,18H2,(H,27,29)