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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C23H26FN3O3S MolecularWeight: 443.534243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C23H26FN3O3S/c1-2-3-4-5-16-30-20-13-9-18(10-14-20)22(29)26-27-23(31)25-21(28)15-8-17-6-11-19(24)12-7-17/h6-15H,2-5,16H2,1H3,(H,26,29)(H2,25,27,28,31)/b15-8+