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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-isopropylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-homoveratryl-2-(p-cumenylthio)cinchoninamide Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3S/c1-19(2)21-10-12-22(13-11-21)35-28-18-24(23-7-5-6-8-25(23)31-28)29(32)30-16-15-20-9-14-26(33-3)27(17-20)34-4/h5-14,17-19H,15-16H2,1-4H3,(H,30,32)