2-(4-ethylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-ethylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)sulfanyl-N-(2-pyridylmethyl)quinoline-4-carboxamide CAS Name: 2-[(4-ethylphenyl)thio]-N-(2-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-[(4-ethylphenyl)thio]-N-(2-pyridylmethyl)cinchoninamide Formula: C24H21N3OS MolecularWeight: 399.50804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C24H21N3OS/c1-2-17-10-12-19(13-11-17)29-23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-16-18-7-5-6-14-25-18/h3-15H,2,16H2,1H3,(H,26,28)