N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C28H26BrN3O2S MolecularWeight: 548.49394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)Br

InChI

InChI=1S/C28H26BrN3O2S/c1-17(2)16-34-20-8-6-7-19(14-20)26-15-22(21-9-4-5-10-24(21)30-26)27(33)32-28(35)31-25-12-11-18(3)13-23(25)29/h4-15,17H,16H2,1-3H3,(H2,31,32,33,35)