2-(3-bromophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(4,5-dimethylthiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(4,5-dimethyl-2-thiazolyl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(4,5-dimethylthiazol-2-yl)cinchoninamide Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C21H16BrN3OS/c1-12-13(2)27-21(23-12)25-20(26)17-11-19(14-6-5-7-15(22)10-14)24-18-9-4-3-8-16(17)18/h3-11H,1-2H3,(H,23,25,26)