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

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-[phenyl-(phenylmethyl)carbamothioyl]quinoline-4-carboxamide Openeye Name: N-[benzyl(phenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]-4-quinolinecarboxamide IUPAC Name: N-[benzyl(phenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[benzyl(phenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C34H31N3O2S MolecularWeight: 545.69384

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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)N(CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H31N3O2S/c1-24(2)23-39-28-17-11-14-26(20-28)32-21-30(29-18-9-10-19-31(29)35-32)33(38)36-34(40)37(27-15-7-4-8-16-27)22-25-12-5-3-6-13-25/h3-21,24H,22-23H2,1-2H3,(H,36,38,40)