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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-[(3-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(3-ethoxybenzyl)isonipecotamide Formula: C23H29ClN2O2S MolecularWeight: 433.00656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O2S/c1-2-28-21-5-3-4-18(16-21)17-26-13-10-19(11-14-26)23(27)25-12-15-29-22-8-6-20(24)7-9-22/h3-9,16,19H,2,10-15,17H2,1H3,(H,25,27)