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

Systemtic Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-phenyl-cinchoninamide Formula: C30H29N3OS MolecularWeight: 479.63576

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3OS/c1-4-30(2,3)20-14-15-22-24(18-31)29(35-27(22)16-20)33-28(34)23-17-26(19-10-6-5-7-11-19)32-25-13-9-8-12-21(23)25/h5-13,17,20H,4,14-16H2,1-3H3,(H,33,34)/t20-/m1/s1