2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(4-methyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(4-methylpiperidino)propyl]cinchoninamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(C)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCN(CC1)C(C)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3OS/c1-17-11-13-29(14-12-17)18(2)16-27-25(30)22-15-24(28-23-6-4-3-5-21(22)23)31-20-9-7-19(26)8-10-20/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,27,30)