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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(4-piperidinylamino)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide Formula: C24H30N6O2S MolecularWeight: 466.599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4CCNCC4

InChI

InChI=1S/C24H30N6O2S/c25-12-15-27-22(32)24(10-2-1-3-11-24)30-21(31)18-6-4-17(5-7-18)20-16-33-23(29-20)28-19-8-13-26-14-9-19/h4-7,16,19,26H,1-3,8-11,13-15H2,(H,27,32)(H,28,29)(H,30,31)