N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-but-3-enyl]-4-[2-(3-pyridyl)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopent-4-en-2-yl]-4-[2-(3-pyridinyl)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopent-4-en-2-yl]-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-but-3-enyl]-4-[2-(3-pyridyl)thiazol-4-yl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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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)C3=CN=CC=C3

Isomeric SMILES

CC(=C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C23H21N5O2S/c1-15(2)12-19(22(30)26-11-9-24)27-21(29)17-7-5-16(6-8-17)20-14-31-23(28-20)18-4-3-10-25-13-18/h3-8,10,13-14,19H,1,11-12H2,2H3,(H,26,30)(H,27,29)