2-(1,3-benzodioxol-5-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)cinchoninamide Formula: C24H14BrN3O3S MolecularWeight: 504.35526

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)Br

InChI

InChI=1S/C24H14BrN3O3S/c25-14-6-7-18-22(10-14)32-24(27-18)28-23(29)16-11-19(26-17-4-2-1-3-15(16)17)13-5-8-20-21(9-13)31-12-30-20/h1-11H,12H2,(H,27,28,29)