2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3-methyl-quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3-methyl-cinchoninamide Formula: C25H20ClN3OS MolecularWeight: 445.9638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C)C

InChI

InChI=1S/C25H20ClN3OS/c1-4-18-15(3)31-25(20(18)13-27)29-24(30)22-14(2)23(16-9-11-17(26)12-10-16)28-21-8-6-5-7-19(21)22/h5-12H,4H2,1-3H3,(H,29,30)