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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H21BrF3N3O3S MolecularWeight: 544.38465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrF3N3O3S/c1-31-19-6-4-16(23)12-14(19)2-7-20(30)28-21(33)27-17-13-15(22(24,25)26)3-5-18(17)29-8-10-32-11-9-29/h2-7,12-13H,8-11H2,1H3,(H2,27,28,30,33)/b7-2+