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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[4-(1-piperidyl)-1-piperidyl]thiazol-4-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-[4-(1-piperidinyl)-1-piperidinyl]-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(4-piperidinopiperidino)thiazol-4-yl]benzamide Formula: C29H38N6O2S MolecularWeight: 534.71602

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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)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CSC(=N3)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C29H38N6O2S/c30-15-16-31-27(37)29(13-3-1-4-14-29)33-26(36)23-9-7-22(8-10-23)25-21-38-28(32-25)35-19-11-24(12-20-35)34-17-5-2-6-18-34/h7-10,21,24H,1-6,11-14,16-20H2,(H,31,37)(H,33,36)