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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperazin-1-ylmethyl)thiazol-4-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(1-piperazinylmethyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(piperazinomethyl)thiazol-4-yl]benzamide Formula: C24H30N6O2S MolecularWeight: 466.599

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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)CN4CCNCC4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)CN4CCNCC4

InChI

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