N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3,4-dimethoxyphenyl)cinchoninamide Formula: C30H23ClN2O3S MolecularWeight: 527.03322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4SC5=CC=C(C=C5)Cl)OC

InChI

InChI=1S/C30H23ClN2O3S/c1-35-27-16-11-19(17-28(27)36-2)26-18-23(22-7-3-4-8-24(22)32-26)30(34)33-25-9-5-6-10-29(25)37-21-14-12-20(31)13-15-21/h3-18H,1-2H3,(H,33,34)