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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-o-phenetyl-cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5OCC

InChI

InChI=1S/C29H27N3O2S/c1-3-18-13-14-20-23(17-30)29(35-27(20)15-18)32-28(33)22-16-25(31-24-11-7-5-9-19(22)24)21-10-6-8-12-26(21)34-4-2/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,32,33)