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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC)C

InChI

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