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

Systemtic Name: 6-bromanyl-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(m-tolyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-bromo-2-(m-tolyl)cinchoninamide Formula: C31H30BrN3OS MolecularWeight: 572.5584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30BrN3OS/c1-5-31(3,4)20-9-11-22-25(17-33)30(37-28(22)14-20)35-29(36)24-16-27(19-8-6-7-18(2)13-19)34-26-12-10-21(32)15-23(24)26/h6-8,10,12-13,15-16,20H,5,9,11,14H2,1-4H3,(H,35,36)