N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-(phenylmethyl)piperidine-3-carboxamide Openeye Name: 1-benzyl-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]propyl]-1-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-benzyl-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]piperidine-3-carboxamide Traditional Name: 1-benzyl-N-[3-[(4-chlorobenzyl)thio]propyl]nipecotamide Formula: C23H29ClN2OS MolecularWeight: 417.00716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)NCCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2OS/c24-22-11-9-20(10-12-22)18-28-15-5-13-25-23(27)21-8-4-14-26(17-21)16-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2,(H,25,27)