N-[3-[bis(2-methylpropyl)amino]propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(4-chlorophenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(diisobutylamino)propyl]quinoline-4-carboxamide CAS Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-[(4-chlorophenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-[bis(2-methylpropyl)amino]propyl]-2-(4-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-(diisobutylamino)propyl]cinchoninamide Formula: C27H34ClN3OS MolecularWeight: 484.09636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl)CC(C)C

Isomeric SMILES

CC(C)CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)Cl)CC(C)C

InChI

InChI=1S/C27H34ClN3OS/c1-19(2)17-31(18-20(3)4)15-7-14-29-27(32)24-16-26(30-25-9-6-5-8-23(24)25)33-22-12-10-21(28)11-13-22/h5-6,8-13,16,19-20H,7,14-15,17-18H2,1-4H3,(H,29,32)