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

Systemtic Name: 3-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(caproylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O2S/c1-2-3-4-11-18(28)27-20(30)26-16-9-5-7-14(12-16)19(29)25-17-10-6-8-15(13-17)21(22,23)24/h5-10,12-13H,2-4,11H2,1H3,(H,25,29)(H2,26,27,28,30)