2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C25H18N4O5S MolecularWeight: 486.49922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])OC

InChI

InChI=1S/C25H18N4O5S/c1-33-21-10-7-14(11-22(21)34-2)20-13-17(16-5-3-4-6-18(16)26-20)24(30)28-25-27-19-9-8-15(29(31)32)12-23(19)35-25/h3-13H,1-2H3,(H,27,28,30)