3-[(4-propoxyphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[(4-propoxyphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(4-propoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(4-propoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(4-propoxybenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C25H22F3N3O3S MolecularWeight: 501.52069

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C25H22F3N3O3S/c1-2-13-34-21-11-9-16(10-12-21)22(32)31-24(35)30-19-7-3-5-17(14-19)23(33)29-20-8-4-6-18(15-20)25(26,27)28/h3-12,14-15H,2,13H2,1H3,(H,29,33)(H2,30,31,32,35)