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

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-methyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-2-(p-tolyl)cinchoninamide Formula: C32H33N3OS MolecularWeight: 507.68892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3OS/c1-6-32(4,5)22-15-16-23-25(18-33)31(37-27(23)17-22)35-30(36)28-20(3)29(21-13-11-19(2)12-14-21)34-26-10-8-7-9-24(26)28/h7-14,22H,6,15-17H2,1-5H3,(H,35,36)