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

Systemtic Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-cyano-5-[dimethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methylthiophen-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[3-cyano-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]-2-phenyl-cinchoninamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N(C)C

InChI

InChI=1S/C25H20N4O2S/c1-15-19(14-26)24(32-22(15)25(31)29(2)3)28-23(30)18-13-21(16-9-5-4-6-10-16)27-20-12-8-7-11-17(18)20/h4-13H,1-3H3,(H,28,30)