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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-phthalimido-butyramide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N3O3S/c1-12-21-16-9-8-13(11-17(16)27-12)22-18(24)7-4-10-23-19(25)14-5-2-3-6-15(14)20(23)26/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,22,24)