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

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(2-bromo-4-methylanilino)-sulfanylidenemethyl]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)thiocarbamoyl]-2-(4-chlorophenyl)cinchoninamide Formula: C24H17BrClN3OS MolecularWeight: 510.83328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17BrClN3OS/c1-14-6-11-21(19(25)12-14)28-24(31)29-23(30)18-13-22(15-7-9-16(26)10-8-15)27-20-5-3-2-4-17(18)20/h2-13H,1H3,(H2,28,29,30,31)