N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C)C

InChI

InChI=1S/C33H29N3O2S/c1-20(2)19-38-25-9-7-8-24(16-25)30-17-27(26-10-5-6-11-29(26)35-30)32(37)36-33-28(18-34)31(22(4)39-33)23-14-12-21(3)13-15-23/h5-17,20H,19H2,1-4H3,(H,36,37)