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

Systemtic Name: 2-(3-butoxyphenyl)-N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-cyano-5-methyl-4-(4-propylphenyl)-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[3-cyano-5-methyl-4-(4-propylphenyl)thiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[3-cyano-5-methyl-4-(4-propylphenyl)-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)CCC)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)CCC)C#N

InChI

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