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

Systemtic Name: N-[4-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(4-bromo-2-fluoro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C27H19BrFN3O4S MolecularWeight: 580.424863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Br)F)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Br)F)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H19BrFN3O4S/c28-19-9-14-24(23(29)16-19)31-27(34)25(17-5-2-1-3-6-17)37-22-12-10-20(11-13-22)30-26(33)18-7-4-8-21(15-18)32(35)36/h1-16,25H,(H,30,33)(H,31,34)