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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[(hexanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(caproylamino)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C16H20FN3O2S MolecularWeight: 337.412303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C=CC1=CC=C(C=C1)F

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O2S/c1-2-3-4-5-15(22)19-20-16(23)18-14(21)11-8-12-6-9-13(17)10-7-12/h6-11H,2-5H2,1H3,(H,19,22)(H2,18,20,21,23)/b11-8+