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

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-p-phenetyl-cinchoninamide Formula: C32H33N3O2S MolecularWeight: 523.68832

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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=C(C=C5)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3O2S/c1-5-32(3,4)21-13-16-24-26(19-33)31(38-29(24)17-21)35-30(36)25-18-28(34-27-10-8-7-9-23(25)27)20-11-14-22(15-12-20)37-6-2/h7-12,14-15,18,21H,5-6,13,16-17H2,1-4H3,(H,35,36)