N-(3-methylsulfanylpropyl)-1-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylpropyl)-1-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-(1-benzyl-4-piperidyl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide CAS Name: N-[3-(methylthio)propyl]-1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinecarboxamide IUPAC Name: 1-(1-benzylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(1-benzyl-4-piperidyl)-N-[3-(methylthio)propyl]nipecotamide Formula: C22H35N3OS MolecularWeight: 389.5978

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSCCCNC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H35N3OS/c1-27-16-6-12-23-22(26)20-9-5-13-25(18-20)21-10-14-24(15-11-21)17-19-7-3-2-4-8-19/h2-4,7-8,20-21H,5-6,9-18H2,1H3,(H,23,26)