N-[2-[bis(2-methylpropyl)amino]ethyl]-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-(5-bromanylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(5-bromo-2-thienyl)-N-[2-(diisobutylamino)ethyl]quinoline-4-carboxamide CAS Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-(5-bromo-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-[bis(2-methylpropyl)amino]ethyl]-2-(5-bromothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(5-bromo-2-thienyl)-N-[2-(diisobutylamino)ethyl]cinchoninamide Formula: C24H30BrN3OS MolecularWeight: 488.4835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3OS/c1-16(2)14-28(15-17(3)4)12-11-26-24(29)19-13-21(22-9-10-23(25)30-22)27-20-8-6-5-7-18(19)20/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,26,29)