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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-[(4-methylphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(4-methylbenzyl)nipecotamide Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCC(C2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c1-17-4-6-18(7-5-17)15-25-13-2-3-19(16-25)22(26)24-12-14-27-21-10-8-20(23)9-11-21/h4-11,19H,2-3,12-16H2,1H3,(H,24,26)