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

Systemtic Name: 2-(5-bromanylthiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide CAS Name: 2-(5-bromo-2-thiophenyl)-N-[2-[butyl(methyl)amino]ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[2-[butyl(methyl)amino]ethyl]cinchoninamide Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3OS/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)