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

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-homoveratryl-cinchoninamide Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C26H23ClN2O3S/c1-31-23-11-10-17(14-24(23)32-2)12-13-28-26(30)21-16-25(29-22-9-4-3-8-20(21)22)33-19-7-5-6-18(27)15-19/h3-11,14-16H,12-13H2,1-2H3,(H,28,30)