N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-ethylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-homoveratryl-cinchoninamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H28N2O3S/c1-4-19-9-12-21(13-10-19)34-27-18-23(22-7-5-6-8-24(22)30-27)28(31)29-16-15-20-11-14-25(32-2)26(17-20)33-3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,31)