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

Systemtic Name: 4-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(hexanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(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=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

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

InChI

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