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

Systemtic Name: N-[1-(cyanomethylamino)-2-(dimethylamino)-1-oxidanylidene-propan-2-yl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(dimethylamino)-1-methyl-2-oxo-ethyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-2-(dimethylamino)-1-oxopropan-2-yl]-4-(2-pyridin-4-yl-4-thiazolyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-2-(dimethylamino)-1-oxopropan-2-yl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[2-(cyanomethylamino)-1-(dimethylamino)-2-keto-1-methyl-ethyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2S/c1-22(28(2)3,21(30)25-13-10-23)27-19(29)16-6-4-15(5-7-16)18-14-31-20(26-18)17-8-11-24-12-9-17/h4-9,11-12,14H,13H2,1-3H3,(H,25,30)(H,27,29)