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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholinothiazol-4-yl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(4-morpholinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholinothiazol-4-yl)benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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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)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4

InChI

InChI=1S/C23H27N5O3S/c24-10-11-25-21(30)23(8-2-1-3-9-23)27-20(29)18-6-4-17(5-7-18)19-16-32-22(26-19)28-12-14-31-15-13-28/h4-7,16H,1-3,8-9,11-15H2,(H,25,30)(H,27,29)