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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-isopropylphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-p-cumenyl-cinchoninamide Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3OS/c1-17(2)19-9-11-20(12-10-19)26-15-23(21-6-4-5-7-25(21)31-26)28(33)32-29-24(16-30)22-13-8-18(3)14-27(22)34-29/h4-7,9-12,15,17-18H,8,13-14H2,1-3H3,(H,32,33)/t18-/m1/s1