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

Systemtic Name: [4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: [4-(2-methylthiazol-4-yl)phenyl]methyl N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamate CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]carbamic acid [4-(2-methyl-4-thiazolyl)phenyl]methyl ester IUPAC Name: [4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]carbamic acid [4-(2-methylthiazol-4-yl)benzyl] ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)COC(=O)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)COC(=O)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C20H24N4O3S/c1-13(2)10-17(19(25)22-9-8-21)24-20(26)27-11-15-4-6-16(7-5-15)18-12-28-14(3)23-18/h4-7,12-13,17H,9-11H2,1-3H3,(H,22,25)(H,24,26)