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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-but-3-enyl]-4-[2-(4-pyridylamino)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopent-4-en-2-yl]-4-[2-(pyridin-4-ylamino)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopent-4-en-2-yl]-4-[2-(pyridin-4-ylamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-but-3-enyl]-4-[2-(4-pyridylamino)thiazol-4-yl]benzamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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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)NC3=CC=NC=C3

Isomeric SMILES

CC(=C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=NC=C3

InChI

InChI=1S/C23H22N6O2S/c1-15(2)13-19(22(31)26-12-9-24)28-21(30)17-5-3-16(4-6-17)20-14-32-23(29-20)27-18-7-10-25-11-8-18/h3-8,10-11,14,19H,1,12-13H2,2H3,(H,26,31)(H,28,30)(H,25,27,29)