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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-methylsulfanyl-butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(3-fluoro-4-methyl-phenyl)methyl]-4-methylsulfanyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(3-fluoro-4-methylphenyl)methyl]-4-(methylthio)butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]-4-methylsulfanylbutanamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)F

InChI

InChI=1S/C21H21FN2O3S/c1-13-7-8-14(11-17(13)22)12-23-19(25)18(9-10-28-2)24-20(26)15-5-3-4-6-16(15)21(24)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,25)