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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)cinchoninamide Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

InChI

InChI=1S/C28H26N4OS/c1-4-18-8-9-19-22(15-29)28(34-25(19)13-18)32-27(33)21-14-24(23-7-5-6-10-30-23)31-26-17(3)11-16(2)12-20(21)26/h5-7,10-12,14,18H,4,8-9,13H2,1-3H3,(H,32,33)