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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2OS/c1-17-4-2-5-18(14-17)15-25-12-3-6-19(16-25)22(26)24-11-13-27-21-9-7-20(23)8-10-21/h2,4-5,7-10,14,19H,3,6,11-13,15-16H2,1H3,(H,24,26)