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

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C36H35N3O2S MolecularWeight: 573.747

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=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

CCC(C)C1=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/C36H35N3O2S/c1-6-23(4)25-14-16-26(17-15-25)34-24(5)42-36(31(34)20-37)39-35(40)30-19-33(38-32-13-8-7-12-29(30)32)27-10-9-11-28(18-27)41-21-22(2)3/h7-19,22-23H,6,21H2,1-5H3,(H,39,40)