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

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-cinchoninamide Formula: C32H33N3OS MolecularWeight: 507.68892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC=C4C)C5=CC=C(C=C5)C(C)(C)C

InChI

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