N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide Openeye Name: 1-(2-phenoxyacetyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-(1-oxo-2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide Traditional Name: 1-(2-phenoxyacetyl)-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S/c1-18-7-9-21(10-8-18)29-16-13-24-23(27)19-11-14-25(15-12-19)22(26)17-28-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,24,27)