N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzamide

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-methyl-benzamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-4-methyl-benzamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]phenyl]-4-methylbenzamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-4-methyl-benzamide Formula: C22H18BrFN2O2S MolecularWeight: 473.357923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H18BrFN2O2S/c1-14-5-7-15(8-6-14)22(28)25-17-3-2-4-18(12-17)29-13-21(27)26-20-10-9-16(23)11-19(20)24/h2-12H,13H2,1H3,(H,25,28)(H,26,27)