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

Systemtic Name: N-[3-[butyl(ethyl)amino]propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-[butyl(ethyl)amino]propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-[butyl(ethyl)amino]propyl]-2-[(4-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-[butyl(ethyl)amino]propyl]-2-(4-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-[butyl(ethyl)amino]propyl]-2-[(4-chlorophenyl)thio]cinchoninamide Formula: C25H30ClN3OS MolecularWeight: 456.0432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN3OS/c1-3-5-16-29(4-2)17-8-15-27-25(30)22-18-24(28-23-10-7-6-9-21(22)23)31-20-13-11-19(26)12-14-20/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3,(H,27,30)