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

Systemtic Name: 4-(2-phenylethanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(2-phenylacetyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(2-phenylacetyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(2-phenylacetyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C23H18F3N3O2S MolecularWeight: 457.46813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H18F3N3O2S/c24-23(25,26)17-7-4-8-19(14-17)27-21(31)16-9-11-18(12-10-16)28-22(32)29-20(30)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,27,31)(H2,28,29,30,32)