2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)cinchoninamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H19N3O3S/c1-3-16-14(2)32-25(19(16)12-26)28-24(29)18-11-21(27-20-7-5-4-6-17(18)20)15-8-9-22-23(10-15)31-13-30-22/h4-11H,3,13H2,1-2H3,(H,28,29)