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

Systemtic Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-phenyl-cinchoninamide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C27H24N4O2S/c1-4-31(5-2)27(33)24-17(3)21(16-28)26(34-24)30-25(32)20-15-23(18-11-7-6-8-12-18)29-22-14-10-9-13-19(20)22/h6-15H,4-5H2,1-3H3,(H,30,32)