4-(2-methylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(2-methylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(2-methylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(2-methylpropanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(isobutyrylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O2S/c1-11(2)16(26)25-18(28)24-14-8-6-12(7-9-14)17(27)23-15-5-3-4-13(10-15)19(20,21)22/h3-11H,1-2H3,(H,23,27)(H2,24,25,26,28)