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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H19ClF3N3O2S MolecularWeight: 469.90767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClF3N3O2S/c22-16-5-1-14(2-6-16)3-8-19(29)27-20(31)26-17-13-15(21(23,24)25)4-7-18(17)28-9-11-30-12-10-28/h1-8,13H,9-12H2,(H2,26,27,29,31)/b8-3+