3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C21H22N2O3S/c1-14-3-6-16(7-4-14)27-12-10-22-19(24)9-11-23-20(25)17-8-5-15(2)13-18(17)21(23)26/h3-8,13H,9-12H2,1-2H3,(H,22,24)