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

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-ethyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[3-(2-ethyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-[(3-chlorophenyl)thio]-N-[3-(2-ethylpiperidino)propyl]cinchoninamide Formula: C26H30ClN3OS MolecularWeight: 468.0539

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H30ClN3OS/c1-2-20-10-5-6-15-30(20)16-8-14-28-26(31)23-18-25(29-24-13-4-3-12-22(23)24)32-21-11-7-9-19(27)17-21/h3-4,7,9,11-13,17-18,20H,2,5-6,8,10,14-16H2,1H3,(H,28,31)