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

Systemtic Name: 4-(octanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(octanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(octanoylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(caprylylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C23H26F3N3O2S MolecularWeight: 465.53165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26F3N3O2S/c1-2-3-4-5-6-10-20(30)29-22(32)28-18-13-11-16(12-14-18)21(31)27-19-9-7-8-17(15-19)23(24,25)26/h7-9,11-15H,2-6,10H2,1H3,(H,27,31)(H2,28,29,30,32)