N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-[butyl-(phenylmethyl)amino]propyl]-2-[(3-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(butyl)amino]propyl]-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-[benzyl(butyl)amino]propyl]-2-[(3-chlorophenyl)thio]cinchoninamide Formula: C30H32ClN3OS MolecularWeight: 518.11258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C30H32ClN3OS/c1-2-3-18-34(22-23-11-5-4-6-12-23)19-10-17-32-30(35)27-21-29(33-28-16-8-7-15-26(27)28)36-25-14-9-13-24(31)20-25/h4-9,11-16,20-21H,2-3,10,17-19,22H2,1H3,(H,32,35)