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

Systemtic Name: N-[(4-bromanylpyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(4-bromo-2-pyridyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[(4-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-bromopyridin-2-yl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(4-bromo-2-pyridyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C26H23BrN4O2S MolecularWeight: 535.45542

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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=NC=CC(=C4)Br

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=NC=CC(=C4)Br

InChI

InChI=1S/C26H23BrN4O2S/c1-16(2)15-33-19-7-5-6-17(12-19)23-14-21(20-8-3-4-9-22(20)29-23)25(32)31-26(34)30-24-13-18(27)10-11-28-24/h3-14,16H,15H2,1-2H3,(H2,28,30,31,32,34)