N-(cyanomethyl)-2-[[4-(4-ethanoylphenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-(4-ethanoylphenyl)-3-methyl-1,2-thiazol-5-yl]amino]-4-methyl-pentanamide Openeye Name: 2-[[4-(4-acetylphenyl)-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-acetylphenyl)-3-methyl-5-isothiazolyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-acetylphenyl)-3-methyl-1,2-thiazol-5-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-acetylphenyl)-3-methyl-isothiazol-5-yl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)C(=O)C)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)C(=O)C)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C20H24N4O2S/c1-12(2)11-17(19(26)22-10-9-21)23-20-18(13(3)24-27-20)16-7-5-15(6-8-16)14(4)25/h5-8,12,17,23H,10-11H2,1-4H3,(H,22,26)