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

Systemtic Name: 2-(3-bromophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)cinchoninamide Formula: C25H18BrN3O2S MolecularWeight: 504.39832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H18BrN3O2S/c1-2-31-17-10-11-21-23(13-17)32-25(28-21)29-24(30)19-14-22(15-6-5-7-16(26)12-15)27-20-9-4-3-8-18(19)20/h3-14H,2H2,1H3,(H,28,29,30)