2-(3-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(2,6-dimethyl-1-piperidyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[2-(2,6-dimethyl-1-piperidinyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[2-(2,6-dimethylpiperidino)ethyl]cinchoninamide Formula: C25H28ClN3OS MolecularWeight: 454.02732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1CCCC(N1CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl)C

InChI

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