2-(3-chlorophenyl)sulfanyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[3-[ethyl-(3-methylphenyl)amino]propyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(N-ethyl-3-methyl-anilino)propyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[3-(N-ethyl-3-methylanilino)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[3-(N-ethyl-3-methyl-anilino)propyl]cinchoninamide Formula: C28H28ClN3OS MolecularWeight: 490.05942

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl)C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC(=CC=C3)Cl)C4=CC=CC(=C4)C

InChI

InChI=1S/C28H28ClN3OS/c1-3-32(22-11-6-9-20(2)17-22)16-8-15-30-28(33)25-19-27(31-26-14-5-4-13-24(25)26)34-23-12-7-10-21(29)18-23/h4-7,9-14,17-19H,3,8,15-16H2,1-2H3,(H,30,33)