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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-3-methyl-cinchoninamide Formula: C25H18BrN3O2S MolecularWeight: 504.39832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)OC)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

InChI

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