3-[3-[[6-(2-azanylsulfanylperoxyphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-[[6-(2-azanylsulfanylperoxyphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[6-(2-aminosulfanylperoxyphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzamidine CAS Name: 3-[3-[[6-[2-(aminothio)dioxyphenyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[6-(2-aminosulfanylperoxyphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[6-[2-(aminothio)peroxyphenyl]-3-keto-1,4-benzoxazin-4-yl]methyl]phenyl]benzamidine Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3OOSN)CC4=CC=CC(=C4)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3OOSN)CC4=CC=CC(=C4)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C28H24N4O4S/c29-28(30)22-8-4-7-20(14-22)19-6-3-5-18(13-19)16-32-24-15-21(11-12-26(24)34-17-27(32)33)23-9-1-2-10-25(23)35-36-37-31/h1-15H,16-17,31H2,(H3,29,30)