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

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pent-4-en-2-yl]-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-2-methyl-but-3-enyl]-4-[2-(3-pyridyl)thiazol-4-yl]benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxopent-4-en-2-yl]-4-[2-(3-pyridinyl)-4-thiazolyl]benzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-3-methyl-1-oxopent-4-en-2-yl]-4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-2-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=C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-3-15(2)20(22(30)26-12-10-24)28-21(29)17-8-6-16(7-9-17)19-14-31-23(27-19)18-5-4-11-25-13-18/h3-9,11,13-15,20H,1,12H2,2H3,(H,26,30)(H,28,29)/t15?,20-/m0/s1