6-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-pyridyl)cinchoninamide Formula: C26H21ClN4OS MolecularWeight: 472.98914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H21ClN4OS/c1-2-15-3-5-18-21(14-28)26(33-24(18)11-15)31-25(32)20-13-23(16-7-9-29-10-8-16)30-22-6-4-17(27)12-19(20)22/h4,6-10,12-13,15H,2-3,5,11H2,1H3,(H,31,32)