N-[2-(4-chlorophenyl)sulfanylethyl]-1-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-benzyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperidine-3-carboxamide Traditional Name: 1-benzyl-N-[2-[(4-chlorophenyl)thio]ethyl]nipecotamide Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2OS/c22-19-8-10-20(11-9-19)26-14-12-23-21(25)18-7-4-13-24(16-18)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2,(H,23,25)