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

Systemtic Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-2-(4-ethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(4-ethylphenyl)cinchoninamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)N(CC)CC)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)N(CC)CC)C)C#N

InChI

InChI=1S/C29H28N4O2S/c1-5-19-12-14-20(15-13-19)25-16-22(21-10-8-9-11-24(21)31-25)27(34)32-28-23(17-30)18(4)26(36-28)29(35)33(6-2)7-3/h8-16H,5-7H2,1-4H3,(H,32,34)