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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[[4-(morpholinomethyl)thiazol-2-yl]amino]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[4-(4-morpholinylmethyl)-2-thiazolyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[[4-(morpholinomethyl)thiazol-2-yl]amino]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)NC2=NC(=CS2)CN3CCOCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)CN3CCOCC3

InChI

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