2-(4-fluorophenyl)sulfanyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(4-fluorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: 2-[(4-fluorophenyl)thio]-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-[(4-fluorophenyl)thio]cinchoninamide Formula: C29H30FN3OS MolecularWeight: 487.631403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C29H30FN3OS/c1-21(2)33(20-22-9-4-3-5-10-22)18-8-17-31-29(34)26-19-28(32-27-12-7-6-11-25(26)27)35-24-15-13-23(30)14-16-24/h3-7,9-16,19,21H,8,17-18,20H2,1-2H3,(H,31,34)