4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O4S/c1-28-12-5-7-15-16(10-12)29-20(22-15)23-17(25)3-2-8-24-18(26)13-6-4-11(21)9-14(13)19(24)27/h4-7,9-10H,2-3,8H2,1H3,(H,22,23,25)