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

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-N-oxidanyl-1-oxidanylidene-isoquinolin-7-amine oxide Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-(1-naphthyl)-1-oxo-isoquinolin-7-amine oxide CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-(1-naphthalenyl)-1-oxo-7-isoquinolinamine oxide IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-4-naphthalen-1-yl-1-oxoisoquinolin-7-amine oxide Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-N-hydroxy-1-keto-4-(1-naphthyl)isoquinolin-7-amine oxide Formula: C26H18N4O3S MolecularWeight: 466.51112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=C(N(C(=O)C4=C3C=CC(=C4)[NH+](O)[O-])C5=NC6=CC=CC=C6S5)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=C(N(C(=O)C4=C3C=CC(=C4)[NH+](O)[O-])C5=NC6=CC=CC=C6S5)N

InChI

InChI=1S/C26H18N4O3S/c27-24-23(18-9-5-7-15-6-1-2-8-17(15)18)19-13-12-16(30(32)33)14-20(19)25(31)29(24)26-28-21-10-3-4-11-22(21)34-26/h1-14,30,32H,27H2