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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(2-ethyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[3-(2-ethyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: N-[3-(2-ethylpiperidino)propyl]-2-(p-phenetylthio)cinchoninamide Formula: C28H35N3O2S MolecularWeight: 477.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=CC=C(C=C4)OCC

InChI

InChI=1S/C28H35N3O2S/c1-3-21-10-7-8-18-31(21)19-9-17-29-28(32)25-20-27(30-26-12-6-5-11-24(25)26)34-23-15-13-22(14-16-23)33-4-2/h5-6,11-16,20-21H,3-4,7-10,17-19H2,1-2H3,(H,29,32)