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

Systemtic Name: N-[3-[butyl(phenyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(N-butylanilino)propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(N-butylanilino)propyl]-2-[(4-fluorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(N-butylanilino)propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(N-butylanilino)propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C29H30FN3OS MolecularWeight: 487.631403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30FN3OS/c1-2-3-19-33(23-10-5-4-6-11-23)20-9-18-31-29(34)26-21-28(32-27-13-8-7-12-25(26)27)35-24-16-14-22(30)15-17-24/h4-8,10-17,21H,2-3,9,18-20H2,1H3,(H,31,34)