N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5-dimethyl-2-thiophenyl)-2-(4-ethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5-dimethyl-2-thienyl)-2-(4-ethylphenyl)cinchoninamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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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)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S/c1-4-16-9-11-17(12-10-16)21-13-19(18-7-5-6-8-20(18)27-21)24(30)28-25-22(23(26)29)14(2)15(3)31-25/h5-13H,4H2,1-3H3,(H2,26,29)(H,28,30)