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

Systemtic Name: N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(3-pyridylamino)thiazol-4-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-[2-(3-pyridinylamino)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(3-pyridylamino)thiazol-4-yl]benzamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O2S/c1-3-15(2)20(22(31)26-12-10-24)29-21(30)17-8-6-16(7-9-17)19-14-32-23(28-19)27-18-5-4-11-25-13-18/h4-9,11,13-15,20H,3,12H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)