N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)-2-m-phenetyl-cinchoninamide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C#N

InChI

InChI=1S/C33H29N3O2S/c1-5-38-25-10-8-9-24(17-25)30-18-27(26-11-6-7-12-29(26)35-30)32(37)36-33-28(19-34)31(21(4)39-33)23-15-13-22(14-16-23)20(2)3/h6-18,20H,5H2,1-4H3,(H,36,37)