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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperazin-1-ylthiazol-4-yl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(1-piperazinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperazin-1-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-piperazinothiazol-4-yl)benzamide Formula: C23H28N6O2S MolecularWeight: 452.57242

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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)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCNCC4

InChI

InChI=1S/C23H28N6O2S/c24-10-11-26-21(31)23(8-2-1-3-9-23)28-20(30)18-6-4-17(5-7-18)19-16-32-22(27-19)29-14-12-25-13-15-29/h4-7,16,25H,1-3,8-9,11-15H2,(H,26,31)(H,28,30)