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

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-3,4-dimethoxy-benzamide Formula: C23H20BrFN2O4S MolecularWeight: 519.383303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)NC3=C(C=C(C=C3)Br)F)OC

InChI

InChI=1S/C23H20BrFN2O4S/c1-30-20-9-6-14(10-21(20)31-2)23(29)26-16-4-3-5-17(12-16)32-13-22(28)27-19-8-7-15(24)11-18(19)25/h3-12H,13H2,1-2H3,(H,26,29)(H,27,28)