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

Systemtic Name: 4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide Openeye Name: 4-[2-(4-tert-butylpiperazin-1-yl)thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide CAS Name: 4-[2-(4-tert-butyl-1-piperazinyl)-4-thiazolyl]-N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide Traditional Name: 4-[2-(4-tert-butylpiperazino)thiazol-4-yl]-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide Formula: C27H36N6O2S MolecularWeight: 508.67874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

InChI

InChI=1S/C27H36N6O2S/c1-26(2,3)33-17-15-32(16-18-33)25-30-22(19-36-25)20-7-9-21(10-8-20)23(34)31-27(11-5-4-6-12-27)24(35)29-14-13-28/h7-10,19H,4-6,11-12,14-18H2,1-3H3,(H,29,35)(H,31,34)