N-(4-bromanyl-3,5-dimethyl-phenyl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-3,5-dimethyl-phenyl)-6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(4-bromo-3,5-dimethyl-phenyl)-6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(4-bromo-3,5-dimethylphenyl)-6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-3,5-dimethylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(4-bromo-3,5-dimethyl-phenyl)-6,8-dimethyl-2-(2-thienyl)cinchoninamide Formula: C24H21BrN2OS MolecularWeight: 465.40534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C(=C4)C)Br)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=CC(=C(C(=C4)C)Br)C)C

InChI

InChI=1S/C24H21BrN2OS/c1-13-8-16(4)23-18(9-13)19(12-20(27-23)21-6-5-7-29-21)24(28)26-17-10-14(2)22(25)15(3)11-17/h5-12H,1-4H3,(H,26,28)