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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,5-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,5-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2,5-dimethylphenyl)cinchoninamide Formula: C28H25N3OS MolecularWeight: 451.5826

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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=C(C=CC(=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3OS/c1-16-8-10-18(3)21(12-16)25-14-22(19-6-4-5-7-24(19)30-25)27(32)31-28-23(15-29)20-11-9-17(2)13-26(20)33-28/h4-8,10,12,14,17H,9,11,13H2,1-3H3,(H,31,32)/t17-/m1/s1