2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-(2-pyridylcarbamothioyl)quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(2-pyridinylamino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: 2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-(2-pyridylthiocarbamoyl)cinchoninamide Formula: C26H24N4O2S MolecularWeight: 456.55936

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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=N4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=CC=CC=N4

InChI

InChI=1S/C26H24N4O2S/c1-17(2)16-32-19-9-7-8-18(14-19)23-15-21(20-10-3-4-11-22(20)28-23)25(31)30-26(33)29-24-12-5-6-13-27-24/h3-15,17H,16H2,1-2H3,(H2,27,29,30,31,33)