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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-homoveratryl-cinchoninamide Formula: C26H23FN2O3S MolecularWeight: 462.535823

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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=C(C=C4)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H23FN2O3S/c1-31-23-12-7-17(15-24(23)32-2)13-14-28-26(30)21-16-25(29-22-6-4-3-5-20(21)22)33-19-10-8-18(27)9-11-19/h3-12,15-16H,13-14H2,1-2H3,(H,28,30)