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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[1-(4-bromophenyl)ethyl]-4-methylsulfanyl-butanamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-4-(methylthio)-2-phthalimido-butyramide Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c1-13(14-7-9-15(22)10-8-14)23-19(25)18(11-12-28-2)24-20(26)16-5-3-4-6-17(16)21(24)27/h3-10,13,18H,11-12H2,1-2H3,(H,23,25)