N-[(2-bromophenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2-bromophenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[(2-bromophenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(2-bromoanilino)-sulfanylidenemethyl]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2-bromophenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(2-bromophenyl)thiocarbamoyl]-2-(4-chlorophenyl)cinchoninamide Formula: C23H15BrClN3OS MolecularWeight: 496.8067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC4=CC=CC=C4Br

InChI

InChI=1S/C23H15BrClN3OS/c24-18-6-2-4-8-20(18)27-23(30)28-22(29)17-13-21(14-9-11-15(25)12-10-14)26-19-7-3-1-5-16(17)19/h1-13H,(H2,27,28,29,30)