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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)butyramide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C21H19N3O3S/c1-12-5-7-15-16(10-12)21(27)24(20(15)26)9-3-4-19(25)23-14-6-8-17-18(11-14)28-13(2)22-17/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,25)