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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(1,3-thiazol-2-ylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(thiazol-2-ylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[oxo-(2-thiazolylamino)methyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(1,3-thiazol-2-ylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(thiazol-2-ylcarbamoylamino)benzamide Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3S/c1-12(2)11-15(17(27)21-8-7-20)24-16(26)13-3-5-14(6-4-13)23-18(28)25-19-22-9-10-29-19/h3-6,9-10,12,15H,8,11H2,1-2H3,(H,21,27)(H,24,26)(H2,22,23,25,28)