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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide Traditional Name: 4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phthalimido-valeramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O3S/c1-12(2)10-17(25-20(27)14-6-4-5-7-15(14)21(25)28)19(26)24-22-23-16-9-8-13(3)11-18(16)29-22/h4-9,11-12,17H,10H2,1-3H3,(H,23,24,26)