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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-12-5-7-14-15(10-12)20(27)24(19(14)26)9-3-4-18(25)23-21-22-16-8-6-13(28-2)11-17(16)29-21/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,23,25)