N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C26H26BrFN2O2S MolecularWeight: 529.464243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C26H26BrFN2O2S/c1-26(2,3)16-23(31)29-19-10-7-11-20(15-19)33-24(17-8-5-4-6-9-17)25(32)30-22-13-12-18(27)14-21(22)28/h4-15,24H,16H2,1-3H3,(H,29,31)(H,30,32)