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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1-methyl-4-piperidyl)thiazol-4-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(1-methyl-4-piperidinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1-methyl-4-piperidyl)thiazol-4-yl]benzamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

Isomeric SMILES

CN1CCC(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)NC4(CCCCC4)C(=O)NCC#N

InChI

InChI=1S/C25H31N5O2S/c1-30-15-9-20(10-16-30)23-28-21(17-33-23)18-5-7-19(8-6-18)22(31)29-25(11-3-2-4-12-25)24(32)27-14-13-26/h5-8,17,20H,2-4,9-12,14-16H2,1H3,(H,27,32)(H,29,31)