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

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]propyl]-1-[(3-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]propyl]-1-m-anisyl-isonipecotamide Formula: C24H31ClN2O2S MolecularWeight: 447.03314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN2O2S/c1-29-23-5-2-4-20(16-23)17-27-13-10-21(11-14-27)24(28)26-12-3-15-30-18-19-6-8-22(25)9-7-19/h2,4-9,16,21H,3,10-15,17-18H2,1H3,(H,26,28)