N-(4-methoxyphenyl)-4-methylsulfanyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-(4-methoxyphenyl)-4-methylsulfanyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(4-methoxyphenyl)-4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(4-methoxyphenyl)-4-(methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(4-methoxyphenyl)-4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(4-methoxyphenyl)-4-(methylthio)-2-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)butyramide Formula: C20H16Cl4N2O4S MolecularWeight: 522.22904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C20H16Cl4N2O4S/c1-30-10-5-3-9(4-6-10)25-18(27)11(7-8-31-2)26-19(28)12-13(20(26)29)15(22)17(24)16(23)14(12)21/h3-6,11H,7-8H2,1-2H3,(H,25,27)