N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(2-pyridin-4-yl-4-thiazolyl)benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-pyridyl)thiazol-4-yl]benzamide Formula: C24H23N5O2S MolecularWeight: 445.53672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5O2S/c25-12-15-27-23(31)24(10-2-1-3-11-24)29-21(30)18-6-4-17(5-7-18)20-16-32-22(28-20)19-8-13-26-14-9-19/h4-9,13-14,16H,1-3,10-11,15H2,(H,27,31)(H,29,30)