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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-pyridin-3-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-[oxo(3-pyridinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-1-nicotinoyl-isonipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-16-5-6-20(14-17(16)2)28-13-10-24-21(26)18-7-11-25(12-8-18)22(27)19-4-3-9-23-15-19/h3-6,9,14-15,18H,7-8,10-13H2,1-2H3,(H,24,26)