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

Systemtic Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-chlorophenyl)cinchoninamide Formula: C29H26ClN3OS MolecularWeight: 500.05424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H26ClN3OS/c1-29(2,3)17-12-13-19-22(16-31)28(35-26(19)14-17)33-27(34)21-15-25(20-9-4-6-10-23(20)30)32-24-11-7-5-8-18(21)24/h4-11,15,17H,12-14H2,1-3H3,(H,33,34)/t17-/m1/s1