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

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-(4-ethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(4-ethylphenyl)cinchoninamide Formula: C26H23N3OS MolecularWeight: 425.54532

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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)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3OS/c1-4-17-10-12-18(13-11-17)24-14-21(20-8-6-7-9-23(20)28-24)25(30)29-26-22(15-27)19(5-2)16(3)31-26/h6-14H,4-5H2,1-3H3,(H,29,30)