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

Systemtic Name: 2-(3-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)cinchoninamide Formula: C23H13BrN4O3S MolecularWeight: 505.34332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H13BrN4O3S/c24-14-5-3-4-13(10-14)20-12-17(16-6-1-2-7-18(16)25-20)22(29)27-23-26-19-9-8-15(28(30)31)11-21(19)32-23/h1-12H,(H,26,27,29)