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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-p-phenetyl-cinchoninamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C)C#N

InChI

InChI=1S/C25H21N3O2S/c1-4-30-18-11-9-17(10-12-18)23-13-20(19-7-5-6-8-22(19)27-23)24(29)28-25-21(14-26)15(2)16(3)31-25/h5-13H,4H2,1-3H3,(H,28,29)