N-[2-[butyl(methyl)amino]ethyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-[butyl(methyl)amino]ethyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[2-[butyl(methyl)amino]ethyl]-2-(5-chloro-2-thienyl)quinoline-4-carboxamide CAS Name: N-[2-[butyl(methyl)amino]ethyl]-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-[butyl(methyl)amino]ethyl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[2-[butyl(methyl)amino]ethyl]-2-(5-chloro-2-thienyl)cinchoninamide Formula: C21H24ClN3OS MolecularWeight: 401.95276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CCCCN(C)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-3-4-12-25(2)13-11-23-21(26)16-14-18(19-9-10-20(22)27-19)24-17-8-6-5-7-15(16)17/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,26)