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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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