N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-p-phenetyl-cinchoninamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC)C

InChI

InChI=1S/C26H23N3O2S/c1-4-19-16(3)32-26(22(19)15-27)29-25(30)21-14-24(28-23-9-7-6-8-20(21)23)17-10-12-18(13-11-17)31-5-2/h6-14H,4-5H2,1-3H3,(H,29,30)