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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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