N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[4-(4-butylphenyl)-3-cyano-2-thienyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C33H29N3OS MolecularWeight: 515.66786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C33H29N3OS/c1-4-5-8-23-12-15-24(16-13-23)29-20-38-33(28(29)19-34)36-32(37)27-18-31(25-14-11-21(2)22(3)17-25)35-30-10-7-6-9-26(27)30/h6-7,9-18,20H,4-5,8H2,1-3H3,(H,36,37)