N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]-2-m-phenetyl-cinchoninamide Formula: C31H25N3O2S MolecularWeight: 503.6141

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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(=CS4)C5=C(C=CC(=C5)C)C)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=C(C=CC(=C5)C)C)C#N

InChI

InChI=1S/C31H25N3O2S/c1-4-36-22-9-7-8-21(15-22)29-16-25(23-10-5-6-11-28(23)33-29)30(35)34-31-26(17-32)27(18-37-31)24-14-19(2)12-13-20(24)3/h5-16,18H,4H2,1-3H3,(H,34,35)