1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-[3-(1,3-dihydroisoindol-2-ylcarbonyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[4-[3-[1,3-dihydroisoindol-2-yl(oxo)methyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[4-[3-(isoindoline-2-carbonyl)-6-methyl-2-pyridyl]piperidino]-2-[4-(methylthio)phenyl]ethanone Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)CC5=CC=C(C=C5)SC

InChI

InChI=1S/C29H31N3O2S/c1-20-7-12-26(29(34)32-18-23-5-3-4-6-24(23)19-32)28(30-20)22-13-15-31(16-14-22)27(33)17-21-8-10-25(35-2)11-9-21/h3-12,22H,13-19H2,1-2H3