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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-morpholinothiazol-4-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(4-morpholinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-morpholinothiazol-4-yl)benzamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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)C2=CSC(=N2)N3CCOCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N3CCOCC3

InChI

InChI=1S/C22H27N5O3S/c1-15(2)13-18(21(29)24-8-7-23)25-20(28)17-5-3-16(4-6-17)19-14-31-22(26-19)27-9-11-30-12-10-27/h3-6,14-15,18H,8-13H2,1-2H3,(H,24,29)(H,25,28)