(2S)-N-(4-methylphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)-N-(p-tolyl)butanamide CAS Name: (2S)-N-(4-methylphenyl)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-(4-methylphenyl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)-N-(p-tolyl)butyramide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CCSC)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CCSC)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H22N2O2S/c1-14-7-9-16(10-8-14)21-19(23)18(11-12-25-2)22-13-15-5-3-4-6-17(15)20(22)24/h3-10,18H,11-13H2,1-2H3,(H,21,23)/t18-/m0/s1