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

Systemtic Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-2-(3,4-dichlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-2-(3,4-dichlorophenyl)cinchoninamide Formula: C27H22Cl2N4O2S MolecularWeight: 537.46018

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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(=C(C=C4)Cl)Cl)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C27H22Cl2N4O2S/c1-4-33(5-2)27(35)24-15(3)19(14-30)26(36-24)32-25(34)18-13-23(16-10-11-20(28)21(29)12-16)31-22-9-7-6-8-17(18)22/h6-13H,4-5H2,1-3H3,(H,32,34)