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

Systemtic Name: (2S)-N-(4-acetamidophenyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(4-acetamidophenyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-N-(4-acetamidophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: (2S)-N-(4-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(4-acetamidophenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O4S/c1-13(25)22-14-7-9-15(10-8-14)23-19(26)18(11-12-29-2)24-20(27)16-5-3-4-6-17(16)21(24)28/h3-10,18H,11-12H2,1-2H3,(H,22,25)(H,23,26)/t18-/m0/s1