7-[[6-(2-azanylsulfanylperoxyphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[6-(2-azanylsulfanylperoxyphenyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[6-(2-aminosulfanylperoxyphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[6-[2-(aminothio)dioxyphenyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[6-(2-aminosulfanylperoxyphenyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[6-[2-(aminothio)peroxyphenyl]-3-keto-1,4-benzoxazin-4-yl]methyl]-2-naphthamidine Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3OOSN)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3OOSN)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C26H22N4O4S/c27-26(28)19-8-7-17-6-5-16(11-20(17)12-19)14-30-22-13-18(9-10-24(22)32-15-25(30)31)21-3-1-2-4-23(21)33-34-35-29/h1-13H,14-15,29H2,(H3,27,28)