N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(homoveratrylthiocarbamoyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C31H33N3O4S MolecularWeight: 543.67642

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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)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H33N3O4S/c1-20(2)19-38-23-9-7-8-22(17-23)27-18-25(24-10-5-6-11-26(24)33-27)30(35)34-31(39)32-15-14-21-12-13-28(36-3)29(16-21)37-4/h5-13,16-18,20H,14-15,19H2,1-4H3,(H2,32,34,35,39)