(E)-3-(4-fluorophenyl)-N-[(2-phenoxyethanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(2-phenoxyethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]acrylamide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C18H16FN3O3S/c19-14-9-6-13(7-10-14)8-11-16(23)20-18(26)22-21-17(24)12-25-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,24)(H2,20,22,23,26)/b11-8+