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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isopropylphenyl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-2-p-cumenyl-cinchoninamide Formula: C32H33N3OS MolecularWeight: 507.68892

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3OS/c1-6-21-8-13-24-26(17-33)32(37-28(24)16-21)35-31(36)29-20(5)30(23-11-9-22(10-12-23)18(2)3)34-27-14-7-19(4)15-25(27)29/h7,9-12,14-15,18,21H,6,8,13,16H2,1-5H3,(H,35,36)