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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(4-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=C3C=CC(=C4C)C)C5=CC=NC=C5

Isomeric SMILES

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

InChI

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