3-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(3-methylbutanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(isovalerylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H20F3N3O2S MolecularWeight: 423.45191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O2S/c1-12(2)9-17(27)26-19(29)25-15-7-3-5-13(10-15)18(28)24-16-8-4-6-14(11-16)20(21,22)23/h3-8,10-12H,9H2,1-2H3,(H,24,28)(H2,25,26,27,29)