6-(2-azanylperoxysulfanylphenyl)-4-[[3-(3-ethanimidoylphenyl)phenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-azanylperoxysulfanylphenyl)-4-[[3-(3-ethanimidoylphenyl)phenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 6-(2-aminoperoxysulfanylphenyl)-4-[[3-(3-ethanimidoylphenyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 2-[4-[[3-[3-(1-iminoethyl)phenyl]phenyl]methyl]-3-oxo-1,4-benzoxazin-6-yl]benzenesulfenic acid aminooxy ester IUPAC Name: 6-(2-aminoperoxysulfanylphenyl)-4-[[3-(3-ethanimidoylphenyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(3-acetimidoylphenyl)benzyl]-6-[2-(aminoperoxythio)phenyl]-1,4-benzoxazin-3-one Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC=CC(=C1)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C5=CC=CC=C5SOON

Isomeric SMILES

CC(=N)C1=CC=CC(=C1)C2=CC(=CC=C2)CN3C(=O)COC4=C3C=C(C=C4)C5=CC=CC=C5SOON

InChI

InChI=1S/C29H25N3O4S/c1-19(30)21-7-5-9-23(15-21)22-8-4-6-20(14-22)17-32-26-16-24(12-13-27(26)34-18-29(32)33)25-10-2-3-11-28(25)37-36-35-31/h2-16,30H,17-18,31H2,1H3