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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)C)C#N

InChI

InChI=1S/C35H33N3O2S/c1-5-6-18-40-27-11-9-10-26(19-27)32-20-29(28-12-7-8-13-31(28)37-32)34(39)38-35-30(21-36)33(23(4)41-35)25-16-14-24(15-17-25)22(2)3/h7-17,19-20,22H,5-6,18H2,1-4H3,(H,38,39)