N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-(2-methyl-1-oxopropyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-isobutyryl-nipecotamide Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2CCCN(C2)C(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2CCCN(C2)C(=O)C(C)C)C

InChI

InChI=1S/C20H30N2O2S/c1-14(2)20(24)22-10-5-6-17(13-22)19(23)21-9-11-25-18-8-7-15(3)16(4)12-18/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3,(H,21,23)