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

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C31H31N3OS MolecularWeight: 493.66234

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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=C(C=C5)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3OS/c1-5-19-10-15-23-25(18-32)30(36-28(23)16-19)34-29(35)24-17-27(33-26-9-7-6-8-22(24)26)20-11-13-21(14-12-20)31(2,3)4/h6-9,11-14,17,19H,5,10,15-16H2,1-4H3,(H,34,35)