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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-ethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-ethyl-2-(2-thienyl)cinchoninamide Formula: C27H25N3OS2 MolecularWeight: 471.6369

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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)CC)C5=CC=CS5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)CC)C5=CC=CS5

InChI

InChI=1S/C27H25N3OS2/c1-3-16-8-10-22-19(12-16)20(14-23(29-22)24-6-5-11-32-24)26(31)30-27-21(15-28)18-9-7-17(4-2)13-25(18)33-27/h5-6,8,10-12,14,17H,3-4,7,9,13H2,1-2H3,(H,30,31)