N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1-methyl-2H-pyridin-4-yl)-1,3-thiazol-4-yl]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1-methyl-2H-pyridin-4-yl)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1-methyl-2H-pyridin-4-yl)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1-methyl-2H-pyridin-4-yl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1-methyl-2H-pyridin-4-yl)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1-methyl-2H-pyridin-4-yl)thiazol-4-yl]benzamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)C3=CCN(C=C3)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)C3=CCN(C=C3)C

InChI

InChI=1S/C24H27N5O2S/c1-16(2)14-20(23(31)26-11-10-25)27-22(30)18-6-4-17(5-7-18)21-15-32-24(28-21)19-8-12-29(3)13-9-19/h4-9,12,15-16,20H,11,13-14H2,1-3H3,(H,26,31)(H,27,30)