N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C22H17BrFN3O4S MolecularWeight: 518.355483

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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)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17BrFN3O4S/c1-13(21(28)26-20-9-8-15(23)11-19(20)24)32-18-7-3-5-16(12-18)25-22(29)14-4-2-6-17(10-14)27(30)31/h2-13H,1H3,(H,25,29)(H,26,28)