N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide

Systemtic Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide Openeye Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-1-(1-naphthylmethyl)piperidine-3-carboxamide CAS Name: N-[3-[(3-chlorophenyl)methylthio]propyl]-1-(1-naphthalenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide Traditional Name: N-[3-[(3-chlorobenzyl)thio]propyl]-1-(1-naphthylmethyl)nipecotamide Formula: C27H31ClN2OS MolecularWeight: 467.06584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC3=CC=CC=C32)C(=O)NCCCSCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC3=CC=CC=C32)C(=O)NCCCSCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H31ClN2OS/c28-25-12-3-7-21(17-25)20-32-16-6-14-29-27(31)24-11-5-15-30(19-24)18-23-10-4-9-22-8-1-2-13-26(22)23/h1-4,7-10,12-13,17,24H,5-6,11,14-16,18-20H2,(H,29,31)