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

Systemtic Name: N-[(2-bromophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(2-bromophenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2-bromoanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(2-bromophenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(2-bromophenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H24BrN3O2S MolecularWeight: 534.46736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4Br

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=C4Br

InChI

InChI=1S/C27H24BrN3O2S/c1-17(2)16-33-19-9-7-8-18(14-19)25-15-21(20-10-3-5-12-23(20)29-25)26(32)31-27(34)30-24-13-6-4-11-22(24)28/h3-15,17H,16H2,1-2H3,(H2,30,31,32,34)