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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(2-pyridylamino)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(2-pyridinylamino)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(2-pyridylamino)thiazol-4-yl]benzamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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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)NC3=CC=CC=N3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=N3

InChI

InChI=1S/C23H24N6O2S/c1-15(2)13-18(22(31)26-12-10-24)27-21(30)17-8-6-16(7-9-17)19-14-32-23(28-19)29-20-5-3-4-11-25-20/h3-9,11,14-15,18H,12-13H2,1-2H3,(H,26,31)(H,27,30)(H,25,28,29)