N-[3-[bis(2-methylpropyl)amino]propyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(diisobutylamino)propyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(diisobutylamino)propyl]-2-(2-thienyl)cinchoninamide Formula: C25H33N3OS MolecularWeight: 423.61402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3)CC(C)C

InChI

InChI=1S/C25H33N3OS/c1-18(2)16-28(17-19(3)4)13-8-12-26-25(29)21-15-23(24-11-7-14-30-24)27-22-10-6-5-9-20(21)22/h5-7,9-11,14-15,18-19H,8,12-13,16-17H2,1-4H3,(H,26,29)