N1-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzene-1,3-dicarboxamide Openeye Name: N1-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-[2-(4-pyridyl)thiazol-4-yl]benzene-1,3-dicarboxamide CAS Name: N1-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-(2-pyridin-4-yl-4-thiazolyl)benzene-1,3-dicarboxamide IUPAC Name: 1-N-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzene-1,3-dicarboxamide Traditional Name: N-(cyanomethyl)-5-(dimethylamino)-4-ethyl-6-[2-(4-pyridyl)thiazol-4-yl]isophthalamide Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1N(C)C)C2=CSC(=N2)C3=CC=NC=C3)C(=O)NCC#N)C(=O)N

Isomeric SMILES

CCC1=C(C=C(C(=C1N(C)C)C2=CSC(=N2)C3=CC=NC=C3)C(=O)NCC#N)C(=O)N

InChI

InChI=1S/C22H22N6O2S/c1-4-14-15(20(24)29)11-16(21(30)26-10-7-23)18(19(14)28(2)3)17-12-31-22(27-17)13-5-8-25-9-6-13/h5-6,8-9,11-12H,4,10H2,1-3H3,(H2,24,29)(H,26,30)