2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-methyl-pentanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-methyl-pentanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-methylpentanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-methyl-2-phthalimido-valeramide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(CC(C)C)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H21N3O3S/c1-11(2)9-17(18(25)23-19-16(10-22)12(3)13(4)28-19)24-20(26)14-7-5-6-8-15(14)21(24)27/h5-8,11,17H,9H2,1-4H3,(H,23,25)