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

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C20H22BrFN2O2S MolecularWeight: 453.368283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C20H22BrFN2O2S/c1-20(2,3)11-18(25)23-14-5-4-6-15(10-14)27-12-19(26)24-17-8-7-13(21)9-16(17)22/h4-10H,11-12H2,1-3H3,(H,23,25)(H,24,26)