2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)cinchoninamide Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C27H25N3OS/c1-16-17(2)32-26(22(16)15-28)30-25(31)21-14-24(29-23-9-7-6-8-20(21)23)18-10-12-19(13-11-18)27(3,4)5/h6-14H,1-5H3,(H,30,31)