N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-(4-pyridyl)thiazole-4-carboxamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-2-pyridin-4-yl-4-thiazolecarboxamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-(4-pyridyl)thiazole-4-carboxamide Formula: C18H19N5O2S MolecularWeight: 369.44076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CSC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CSC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H19N5O2S/c19-8-11-21-17(25)18(6-2-1-3-7-18)23-15(24)14-12-26-16(22-14)13-4-9-20-10-5-13/h4-5,9-10,12H,1-3,6-7,11H2,(H,21,25)(H,23,24)