N-[3-[ethyl(phenyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C27H26FN3OS MolecularWeight: 459.578243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C27H26FN3OS/c1-2-31(21-9-4-3-5-10-21)18-8-17-29-27(32)24-19-26(30-25-12-7-6-11-23(24)25)33-22-15-13-20(28)14-16-22/h3-7,9-16,19H,2,8,17-18H2,1H3,(H,29,32)