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

Systemtic Name: N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-(3-pyridylamino)-2-thiazol-4-yl-benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(3-pyridinylamino)-2-(4-thiazolyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(pyridin-3-ylamino)-2-(1,3-thiazol-4-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-(3-pyridylamino)-2-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=C(C=C(C=C1)NC2=CN=CC=C2)C3=CSC=N3

Isomeric SMILES

CCC(C)C(C(=O)NCC#N)NC(=O)C1=C(C=C(C=C1)NC2=CN=CC=C2)C3=CSC=N3

InChI

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