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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[[4-(4-pyridyl)thiazol-2-yl]amino]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[(4-pyridin-4-yl-2-thiazolyl)amino]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[[4-(4-pyridyl)thiazol-2-yl]amino]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)NC2=NC(=CS2)C3=CC=NC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=NC=C3

InChI

InChI=1S/C23H24N6O2S/c1-15(2)13-19(22(31)26-12-9-24)28-21(30)17-3-5-18(6-4-17)27-23-29-20(14-32-23)16-7-10-25-11-8-16/h3-8,10-11,14-15,19H,12-13H2,1-2H3,(H,26,31)(H,27,29)(H,28,30)/t19-/m0/s1