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

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H27N3OS/c1-29(2,3)19-14-12-18(13-15-19)25-16-22(20-8-4-6-10-24(20)31-25)27(33)32-28-23(17-30)21-9-5-7-11-26(21)34-28/h4,6,8,10,12-16H,5,7,9,11H2,1-3H3,(H,32,33)