3-bromanyl-4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H19BrF3N3O3S MolecularWeight: 518.34737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)Br

InChI

InChI=1S/C20H19BrF3N3O3S/c1-29-17-5-2-12(10-14(17)21)18(28)26-19(31)25-15-11-13(20(22,23)24)3-4-16(15)27-6-8-30-9-7-27/h2-5,10-11H,6-9H2,1H3,(H2,25,26,28,31)