(E)-N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-bromo-2-fluoro-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-bromo-2-fluorophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-bromo-2-fluoro-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C17H14BrFN2O2S MolecularWeight: 409.272663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H14BrFN2O2S/c1-23-13-6-2-11(3-7-13)4-9-16(22)21-17(24)20-15-8-5-12(18)10-14(15)19/h2-10H,1H3,(H2,20,21,22,24)/b9-4+