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

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H24BrFN2O2S MolecularWeight: 467.394863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrFN2O2S/c1-13(20(27)25-18-9-8-14(22)10-17(18)23)28-16-7-5-6-15(11-16)24-19(26)12-21(2,3)4/h5-11,13H,12H2,1-4H3,(H,24,26)(H,25,27)