3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-(4-methoxyphenyl)-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-1-keto-4-(4-methoxyphenyl)isoquinolin-7-amine oxide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[NH+](O)[O-])C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[NH+](O)[O-])C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C23H18N4O4S/c1-31-15-9-6-13(7-10-15)20-16-11-8-14(27(29)30)12-17(16)22(28)26(21(20)24)23-25-18-4-2-3-5-19(18)32-23/h2-12,27,29H,24H2,1H3