2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[3-(1,3-dioxo-2-isoindolyl)propylthio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(3-phthalimidopropylthio)acetamide Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H19BrN2O3S/c1-13-11-14(21)7-8-17(13)22-18(24)12-27-10-4-9-23-19(25)15-5-2-3-6-16(15)20(23)26/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,24)