N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C25H22BrFN2O2S MolecularWeight: 513.421783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22BrFN2O2S/c1-2-23(25(31)29-22-13-12-18(26)15-21(22)27)32-20-10-6-9-19(16-20)28-24(30)14-11-17-7-4-3-5-8-17/h3-16,23H,2H2,1H3,(H,28,30)(H,29,31)/b14-11+