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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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