N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-1-(3-ethoxybenzyl)isonipecotamide Formula: C24H31ClN2O2S MolecularWeight: 447.03314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN2O2S/c1-2-29-23-5-3-4-20(16-23)17-27-13-10-21(11-14-27)24(28)26-12-15-30-18-19-6-8-22(25)9-7-19/h3-9,16,21H,2,10-15,17-18H2,1H3,(H,26,28)