N-(2,3-dimethylcyclohexyl)-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-(4-ethoxyphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(4-ethoxyphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(4-ethoxyphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-(p-phenetylthio)cinchoninamide Formula: C26H30N2O2S MolecularWeight: 434.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC(C4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCCC(C4C)C

InChI

InChI=1S/C26H30N2O2S/c1-4-30-19-12-14-20(15-13-19)31-25-16-22(21-9-5-6-10-24(21)27-25)26(29)28-23-11-7-8-17(2)18(23)3/h5-6,9-10,12-18,23H,4,7-8,11H2,1-3H3,(H,28,29)