N-[2-(4-chlorophenyl)sulfanylethyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(1-naphthylmethyl)piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(1-naphthalenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(1-naphthylmethyl)nipecotamide Formula: C25H27ClN2OS MolecularWeight: 439.01268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=CC=CC=C32)C(=O)NCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC3=CC=CC=C32)C(=O)NCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN2OS/c26-22-10-12-23(13-11-22)30-16-14-27-25(29)21-8-4-15-28(18-21)17-20-7-3-6-19-5-1-2-9-24(19)20/h1-3,5-7,9-13,21H,4,8,14-18H2,(H,27,29)