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

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: 4-(2-aminothiazol-4-yl)-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]benzamide CAS Name: 4-(2-amino-4-thiazolyl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide Traditional Name: 4-(2-aminothiazol-4-yl)-N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]benzamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2S/c1-11(2)9-14(17(25)21-8-7-19)22-16(24)13-5-3-12(4-6-13)15-10-26-18(20)23-15/h3-6,10-11,14H,8-9H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)