6-bromanyl-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-cinchoninamide Formula: C26H20BrN3OS MolecularWeight: 502.4255

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H20BrN3OS/c1-15-7-9-18-21(14-28)26(32-24(18)11-15)30-25(31)20-13-23(16-5-3-2-4-6-16)29-22-10-8-17(27)12-19(20)22/h2-6,8,10,12-13,15H,7,9,11H2,1H3,(H,30,31)/t15-/m1/s1