(E)-3-(4-fluorophenyl)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]acrylamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O2S/c22-16-10-7-15(8-11-16)9-12-19(26)24-21(28)23-18-6-2-1-5-17(18)20(27)25-13-3-4-14-25/h1-2,5-12H,3-4,13-14H2,(H2,23,24,26,28)/b12-9+