N-[3-[bis(2-methylpropyl)amino]propyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(5-chloranylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-[3-(diisobutylamino)propyl]quinoline-4-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(5-chloro-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-[3-(diisobutylamino)propyl]cinchoninamide Formula: C25H32ClN3OS MolecularWeight: 458.05908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl)CC(C)C

InChI

InChI=1S/C25H32ClN3OS/c1-17(2)15-29(16-18(3)4)13-7-12-27-25(30)20-14-22(23-10-11-24(26)31-23)28-21-9-6-5-8-19(20)21/h5-6,8-11,14,17-18H,7,12-13,15-16H2,1-4H3,(H,27,30)