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

Systemtic Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(3-hydroxyanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-hydroxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(3-hydroxyphenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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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=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-17(2)16-33-21-10-5-7-18(13-21)25-15-23(22-11-3-4-12-24(22)29-25)26(32)30-27(34)28-19-8-6-9-20(31)14-19/h3-15,17,31H,16H2,1-2H3,(H2,28,30,32,34)