2-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-(3-methylbutanoylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-[3-(trifluoromethyl)benzyl]thiazole-4-carboxamide Formula: C17H18F3N3O2S MolecularWeight: 385.40393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S/c1-10(2)6-14(24)23-16-22-13(9-26-16)15(25)21-8-11-4-3-5-12(7-11)17(18,19)20/h3-5,7,9-10H,6,8H2,1-2H3,(H,21,25)(H,22,23,24)