2-(4-ethylphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-[3-(1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-[3-(1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-(3-piperidinopropyl)cinchoninamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN4CCCCC4

InChI

InChI=1S/C26H31N3OS/c1-2-20-11-13-21(14-12-20)31-25-19-23(22-9-4-5-10-24(22)28-25)26(30)27-15-8-18-29-16-6-3-7-17-29/h4-5,9-14,19H,2-3,6-8,15-18H2,1H3,(H,27,30)