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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[benzyl(4-hydroxybutyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O2S/c22-19-11-8-17(9-12-19)10-13-20(26)23-21(27)24(14-4-5-15-25)16-18-6-2-1-3-7-18/h1-3,6-13,25H,4-5,14-16H2,(H,23,26,27)/b13-10+