2-(4-chlorophenyl)sulfanyl-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(diethylamino)-2-methyl-propyl]quinoline-4-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[3-(diethylamino)-2-methylpropyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[3-(diethylamino)-2-methylpropyl]quinoline-4-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[3-(diethylamino)-2-methyl-propyl]cinchoninamide Formula: C24H28ClN3OS MolecularWeight: 442.01662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3OS/c1-4-28(5-2)16-17(3)15-26-24(29)21-14-23(27-22-9-7-6-8-20(21)22)30-19-12-10-18(25)11-13-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,26,29)