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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(2-pyridin-3-yl-2H-1,3-thiazol-3-yl)benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(3-pyridyl)-2H-thiazol-3-yl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-[2-(3-pyridinyl)-2H-thiazol-3-yl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(2-pyridin-3-yl-2H-1,3-thiazol-3-yl)benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-[2-(3-pyridyl)-4-thiazolin-3-yl]benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2C=CSC2C3=CN=CC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2C=CSC2C3=CN=CC=C3

InChI

InChI=1S/C23H25N5O2S/c1-3-16(2)20(22(30)26-12-10-24)27-21(29)17-6-8-19(9-7-17)28-13-14-31-23(28)18-5-4-11-25-15-18/h4-9,11,13-16,20,23H,3,12H2,1-2H3,(H,26,30)(H,27,29)/t16?,20-,23?/m0/s1