2-(diphenylmethyl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-(diphenylmethyl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-benzhydrylsulfanyl-N-(1-benzyl-4-piperidyl)pyridine-3-carboxamide CAS Name: 2-[(diphenylmethyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-benzhydrylsulfanyl-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide Traditional Name: 2-(benzhydrylthio)-N-(1-benzyl-4-piperidyl)nicotinamide Formula: C31H31N3OS MolecularWeight: 493.66234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(N=CC=C2)SC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(N=CC=C2)SC(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H31N3OS/c35-30(33-27-18-21-34(22-19-27)23-24-11-4-1-5-12-24)28-17-10-20-32-31(28)36-29(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-17,20,27,29H,18-19,21-23H2,(H,33,35)