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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-methylsulfonylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-methylsulfonylphenyl)isothiazol-5-yl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-methylsulfonylphenyl)-5-isothiazolyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[3-methyl-4-(4-methylsulfonylphenyl)-1,2-thiazol-5-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(4-mesylphenyl)-3-methyl-isothiazol-5-yl]amino]-4-methyl-valeramide Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S2/c1-12(2)11-16(18(24)21-10-9-20)22-19-17(13(3)23-27-19)14-5-7-15(8-6-14)28(4,25)26/h5-8,12,16,22H,10-11H2,1-4H3,(H,21,24)