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

Systemtic Name: N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thiophenyl]-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-(3,4-dimethylphenyl)cinchoninamide Formula: C29H19Cl2N3OS MolecularWeight: 528.45166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N)C

InChI

InChI=1S/C29H19Cl2N3OS/c1-16-7-8-18(11-17(16)2)27-13-22(21-5-3-4-6-26(21)33-27)28(35)34-29-23(14-32)24(15-36-29)20-10-9-19(30)12-25(20)31/h3-13,15H,1-2H3,(H,34,35)