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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O2S/c1-28(2)13-18(21(30)25-12-9-23)26-20(29)16-5-3-15(4-6-16)19-14-31-22(27-19)17-7-10-24-11-8-17/h3-8,10-11,14,18H,12-13H2,1-2H3,(H,25,30)(H,26,29)