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

Systemtic Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C35H33N3O2S MolecularWeight: 559.72042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)C#N)C5=CC=C(C=C5)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C)C#N)C5=CC=C(C=C5)C(C)C

InChI

InChI=1S/C35H33N3O2S/c1-21(2)20-40-27-10-8-9-26(17-27)32-18-29(28-11-6-7-12-31(28)37-32)34(39)38-35-30(19-36)33(23(5)41-35)25-15-13-24(14-16-25)22(3)4/h6-18,21-22H,20H2,1-5H3,(H,38,39)