2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethanoylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethanoylphenyl)-4-methylsulfanyl-butanamide Openeye Name: N-(3-acetylphenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(3-acetylphenyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(3-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(3-acetylphenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4S/c1-13(24)14-6-5-7-15(12-14)22-19(25)18(10-11-28-2)23-20(26)16-8-3-4-9-17(16)21(23)27/h3-9,12,18H,10-11H2,1-2H3,(H,22,25)