4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]butyramide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)CCCN1C(=O)C2=C(C1=O)C=C(C=C2)Br)C3=CC=CS3

InChI

InChI=1S/C20H22BrN3O3S/c1-23(2)16(17-5-4-10-28-17)12-22-18(25)6-3-9-24-19(26)14-8-7-13(21)11-15(14)20(24)27/h4-5,7-8,10-11,16H,3,6,9,12H2,1-2H3,(H,22,25)