2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethylquinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-cinchoninamide Formula: C33H35N3OS MolecularWeight: 521.7155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C33H35N3OS/c1-7-21-8-13-24-27(18-34)32(38-29(24)16-21)36-31(37)26-17-28(22-9-11-23(12-10-22)33(4,5)6)35-30-20(3)14-19(2)15-25(26)30/h9-12,14-15,17,21H,7-8,13,16H2,1-6H3,(H,36,37)