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

Systemtic Name: 6-bromanyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)cinchoninamide Formula: C27H22BrN3OS MolecularWeight: 516.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=NC5=C(S4)C=C(C(=C5)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=NC5=C(S4)C=C(C(=C5)C)C)C

InChI

InChI=1S/C27H22BrN3OS/c1-14-5-6-18(9-15(14)2)23-13-21(20-12-19(28)7-8-22(20)29-23)26(32)31-27-30-24-10-16(3)17(4)11-25(24)33-27/h5-13H,1-4H3,(H,30,31,32)