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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C25H18BrN3OS MolecularWeight: 488.39892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)C

InChI

InChI=1S/C25H18BrN3OS/c1-14-7-8-16(11-15(14)2)22-13-19(18-5-3-4-6-20(18)27-22)24(30)29-25-28-21-10-9-17(26)12-23(21)31-25/h3-13H,1-2H3,(H,28,29,30)