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

Systemtic Name: 6-bromanyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyridyl)cinchoninamide Formula: C26H21BrN4OS MolecularWeight: 517.44014

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)Br)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=N5

InChI

InChI=1S/C26H21BrN4OS/c1-2-15-6-8-17-20(14-28)26(33-24(17)11-15)31-25(32)19-13-23(22-5-3-4-10-29-22)30-21-9-7-16(27)12-18(19)21/h3-5,7,9-10,12-13,15H,2,6,8,11H2,1H3,(H,31,32)