(2S)-N-[(3-ethanoylphenyl)methyl]-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-[(3-ethanoylphenyl)methyl]-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-[(3-acetylphenyl)methyl]-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-[(3-acetylphenyl)methyl]-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-[(3-acetylphenyl)methyl]-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-(3-acetylbenzyl)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)CNC(=O)C(CCSC)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-15(25)17-8-5-6-16(12-17)13-23-21(26)20(10-11-28-2)24-14-18-7-3-4-9-19(18)22(24)27/h3-9,12,20H,10-11,13-14H2,1-2H3,(H,23,26)/t20-/m0/s1