N-[3-[butyl-(phenylmethyl)amino]propyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-(2-thienyl)cinchoninamide Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C28H31N3OS/c1-2-3-17-31(21-22-11-5-4-6-12-22)18-10-16-29-28(32)24-20-26(27-15-9-19-33-27)30-25-14-8-7-13-23(24)25/h4-9,11-15,19-20H,2-3,10,16-18,21H2,1H3,(H,29,32)