2-methyl-3-(2-phenylsulfanylethyl)-3-piperidin-4-yl-isoindol-1-one

Systemtic Name: 2-methyl-3-(2-phenylsulfanylethyl)-3-piperidin-4-yl-isoindol-1-one Openeye Name: 2-methyl-3-(2-phenylsulfanylethyl)-3-(4-piperidyl)isoindolin-1-one CAS Name: 2-methyl-3-[2-(phenylthio)ethyl]-3-(4-piperidinyl)-1-isoindolone IUPAC Name: 2-methyl-3-(2-phenylsulfanylethyl)-3-piperidin-4-ylisoindol-1-one Traditional Name: 2-methyl-3-[2-(phenylthio)ethyl]-3-(4-piperidyl)isoindolin-1-one Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C1(CCSC3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C22H26N2OS/c1-24-21(25)19-9-5-6-10-20(19)22(24,17-11-14-23-15-12-17)13-16-26-18-7-3-2-4-8-18/h2-10,17,23H,11-16H2,1H3