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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-[(4-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-1-(4-methylbenzyl)nipecotamide Formula: C23H29ClN2OS MolecularWeight: 417.00716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c1-18-4-6-19(7-5-18)15-26-13-2-3-21(16-26)23(27)25-12-14-28-17-20-8-10-22(24)11-9-20/h4-11,21H,2-3,12-17H2,1H3,(H,25,27)