(E)-3-phenyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)16-9-10-18(27-12-4-5-13-27)17(14-16)25-20(29)26-19(28)11-8-15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,25,26,28,29)/b11-8+