N-(2-phenylsulfanylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(2-phenylsulfanylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(2-phenylsulfanylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-(phenylthio)phenyl]-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(2-phenylsulfanylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[2-(phenylthio)phenyl]-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C31H26N2O4S MolecularWeight: 522.61414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C31H26N2O4S/c1-35-27-17-20(18-28(36-2)30(27)37-3)26-19-23(22-13-7-8-14-24(22)32-26)31(34)33-25-15-9-10-16-29(25)38-21-11-5-4-6-12-21/h4-19H,1-3H3,(H,33,34)