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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-pyridin-4-yl-4-thiazolyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-15(2)13-19(22(30)26-12-9-24)27-21(29)17-5-3-16(4-6-17)20-14-31-23(28-20)18-7-10-25-11-8-18/h3-8,10-11,14-15,19H,12-13H2,1-2H3,(H,26,30)(H,27,29)