2-(4-ethylphenyl)sulfanyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-[2-(2-methyl-1-piperidyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-[2-(2-methyl-1-piperidinyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-[2-(2-methylpiperidino)ethyl]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)NCCN4CCCCC4C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCCCC4C

InChI

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