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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[(4-heptoxyphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[(4-heptoxyphenyl)thiocarbamoyl]acrylamide Formula: C23H27FN2O2S MolecularWeight: 414.536083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C23H27FN2O2S/c1-2-3-4-5-6-17-28-21-14-12-20(13-15-21)25-23(29)26-22(27)16-9-18-7-10-19(24)11-8-18/h7-16H,2-6,17H2,1H3,(H2,25,26,27,29)/b16-9+