6-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-phenyl-cinchoninamide Formula: C29H26BrN3OS MolecularWeight: 544.50524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H26BrN3OS/c1-29(2,3)18-9-11-20-23(16-31)28(35-26(20)13-18)33-27(34)22-15-25(17-7-5-4-6-8-17)32-24-12-10-19(30)14-21(22)24/h4-8,10,12,14-15,18H,9,11,13H2,1-3H3,(H,33,34)