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

Systemtic Name: 3-azanyl-4-(1,3-benzothiazol-2-yl)-N-oxidanyl-1-oxidanylidene-2-(1-phenylethyl)isoquinolin-7-amine oxide Openeye Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-hydroxy-1-oxo-2-(1-phenylethyl)-7-isoquinolinamine oxide IUPAC Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-hydroxy-1-oxo-2-(1-phenylethyl)isoquinolin-7-amine oxide Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-N-hydroxy-1-keto-2-(1-phenylethyl)isoquinolin-7-amine oxide Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[NH+](O)[O-])C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C24H20N4O3S/c1-14(15-7-3-2-4-8-15)27-22(25)21(23-26-19-9-5-6-10-20(19)32-23)17-12-11-16(28(30)31)13-18(17)24(27)29/h2-14,28,30H,25H2,1H3