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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]acrylamide Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O3S/c23-18-9-5-15(6-10-18)7-12-20(27)24-22(30)26-25-21(28)14-29-19-11-8-16-3-1-2-4-17(16)13-19/h1-13H,14H2,(H,25,28)(H2,24,26,27,30)/b12-7+