N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-[4-(3-pyridyl)phenyl]isothiazol-5-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-[4-(3-pyridinyl)phenyl]-5-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-pyridin-3-ylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-[4-(3-pyridyl)phenyl]isothiazol-5-yl]amino]valeramide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=CC=C(C=C2)C3=CN=CC=C3)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=NSC(=C1C2=CC=C(C=C2)C3=CN=CC=C3)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C23H25N5OS/c1-15(2)13-20(22(29)26-12-10-24)27-23-21(16(3)28-30-23)18-8-6-17(7-9-18)19-5-4-11-25-14-19/h4-9,11,14-15,20,27H,12-13H2,1-3H3,(H,26,29)