N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)-8-methyl-cinchoninamide Formula: C32H33N3O2S MolecularWeight: 523.68832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33N3O2S/c1-5-21-12-13-24-27(17-33)32(38-29(24)14-21)35-31(36)26-16-28(34-30-20(4)8-6-11-25(26)30)22-9-7-10-23(15-22)37-18-19(2)3/h6-11,15-16,19,21H,5,12-14,18H2,1-4H3,(H,35,36)