N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1-[(2-piperazin-1-ylthiazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-[[2-(1-piperazinyl)-4-thiazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-1-[(2-piperazinothiazol-4-yl)methyl]isonipecotamide Formula: C22H35N7O2S MolecularWeight: 461.624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1CCN(CC1)CC2=CSC(=N2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1CCN(CC1)CC2=CSC(=N2)N3CCNCC3

InChI

InChI=1S/C22H35N7O2S/c1-16(2)13-19(21(31)25-6-5-23)27-20(30)17-3-9-28(10-4-17)14-18-15-32-22(26-18)29-11-7-24-8-12-29/h15-17,19,24H,3-4,6-14H2,1-2H3,(H,25,31)(H,27,30)