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

Systemtic Name: 2-(4-chlorophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,6-dimethyl-cinchoninamide Formula: C29H26ClN3OS MolecularWeight: 500.05424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C29H26ClN3OS/c1-4-18-6-11-21-23(15-31)29(35-25(21)14-18)33-28(34)26-17(3)27(19-7-9-20(30)10-8-19)32-24-12-5-16(2)13-22(24)26/h5,7-10,12-13,18H,4,6,11,14H2,1-3H3,(H,33,34)