3-azanyl-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isocarbostyril Formula: C24H18N4O5S MolecularWeight: 474.48852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N)OC

InChI

InChI=1S/C24H18N4O5S/c1-32-15-9-14(10-16(12-15)33-2)27-22(25)21(23-26-19-5-3-4-6-20(19)34-23)17-8-7-13(28(30)31)11-18(17)24(27)29/h3-12H,25H2,1-2H3