2-(3-chlorophenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-methyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[3-(2-methyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[3-(2-methylpiperidino)propyl]cinchoninamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H28ClN3OS/c1-18-8-4-5-14-29(18)15-7-13-27-25(30)22-17-24(28-23-12-3-2-11-21(22)23)31-20-10-6-9-19(26)16-20/h2-3,6,9-12,16-18H,4-5,7-8,13-15H2,1H3,(H,27,30)