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

Systemtic Name: 2-(3-bromophenyl)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-bromophenyl)cinchoninamide Formula: C30H28BrN3OS MolecularWeight: 558.53182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C30H28BrN3OS/c1-4-30(2,3)19-12-13-22-24(17-32)29(36-27(22)15-19)34-28(35)23-16-26(18-8-7-9-20(31)14-18)33-25-11-6-5-10-21(23)25/h5-11,14,16,19H,4,12-13,15H2,1-3H3,(H,34,35)