N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-phenyl-cinchoninamide Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=CC=C5)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=CC=C5)C

InChI

InChI=1S/C29H27N3OS/c1-4-19-11-12-21-23(16-30)29(34-25(21)15-19)32-28(33)26-18(3)27(20-8-6-5-7-9-20)31-24-13-10-17(2)14-22(24)26/h5-10,13-14,19H,4,11-12,15H2,1-3H3,(H,32,33)