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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-methyl-2-phthalimido-valeramide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19N3O3S/c1-12(2)11-16(24-19(26)13-7-3-4-8-14(13)20(24)27)18(25)23-21-22-15-9-5-6-10-17(15)28-21/h3-10,12,16H,11H2,1-2H3,(H,22,23,25)