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

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[2-[(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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