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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N)C

InChI

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