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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)-6-methyl-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=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C32H33N3OS/c1-5-21-9-12-24-27(18-33)32(37-30(24)16-21)35-31(36)26-17-29(34-28-13-6-20(4)15-25(26)28)23-10-7-22(8-11-23)14-19(2)3/h6-8,10-11,13,15,17,19,21H,5,9,12,14,16H2,1-4H3,(H,35,36)