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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methoxy]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(2-piperazin-1-ylthiazol-4-yl)methoxy]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[2-(1-piperazinyl)-4-thiazolyl]methoxy]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methoxy]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(2-piperazinothiazol-4-yl)methoxy]benzamide Formula: C23H30N6O3S MolecularWeight: 470.5877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)N3CCNCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)OCC2=CSC(=N2)N3CCNCC3

InChI

InChI=1S/C23H30N6O3S/c1-16(2)13-20(22(31)26-8-7-24)28-21(30)17-3-5-19(6-4-17)32-14-18-15-33-23(27-18)29-11-9-25-10-12-29/h3-6,15-16,20,25H,8-14H2,1-2H3,(H,26,31)(H,28,30)