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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-benzyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-benzyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide Traditional Name: 1-benzyl-N-[2-[(4-chlorobenzyl)thio]ethyl]nipecotamide Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c23-21-10-8-19(9-11-21)17-27-14-12-24-22(26)20-7-4-13-25(16-20)15-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)