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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[(4-piperazin-1-yl-1,3-thiazol-2-yl)amino]benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(4-piperazin-1-ylthiazol-2-yl)amino]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[4-(1-piperazinyl)-2-thiazolyl]amino]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[(4-piperazin-1-yl-1,3-thiazol-2-yl)amino]benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(4-piperazinothiazol-2-yl)amino]benzamide Formula: C22H29N7O2S MolecularWeight: 455.57636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)N3CCNCC3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)N3CCNCC3

InChI

InChI=1S/C22H29N7O2S/c1-15(2)13-18(21(31)25-8-7-23)27-20(30)16-3-5-17(6-4-16)26-22-28-19(14-32-22)29-11-9-24-10-12-29/h3-6,14-15,18,24H,8-13H2,1-2H3,(H,25,31)(H,26,28)(H,27,30)/t18-/m0/s1