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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2,4-dimethoxyphenyl)cinchoninamide Formula: C25H18BrN3O3S MolecularWeight: 520.39772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)OC

InChI

InChI=1S/C25H18BrN3O3S/c1-31-15-8-9-17(22(12-15)32-2)21-13-18(16-5-3-4-6-19(16)27-21)24(30)29-25-28-20-10-7-14(26)11-23(20)33-25/h3-13H,1-2H3,(H,28,29,30)