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

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[[(2-methylbenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[[(2-methylbenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[(o-toluoylamino)thiocarbamoyl]acrylamide Formula: C18H16FN3O2S MolecularWeight: 357.401943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C18H16FN3O2S/c1-12-4-2-3-5-15(12)17(24)21-22-18(25)20-16(23)11-8-13-6-9-14(19)10-7-13/h2-11H,1H3,(H,21,24)(H2,20,22,23,25)/b11-8+