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

Systemtic Name: 2-(4-bromophenyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]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=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

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