2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-(3-pyridylmethyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-(3-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(p-phenetylthio)-N-(3-pyridylmethyl)cinchoninamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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)NCC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-2-29-18-9-11-19(12-10-18)30-23-14-21(20-7-3-4-8-22(20)27-23)24(28)26-16-17-6-5-13-25-15-17/h3-15H,2,16H2,1H3,(H,26,28)