N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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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)OCCO5)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)C

InChI

InChI=1S/C26H21N3O3S/c1-3-17-15(2)33-26(20(17)14-27)29-25(30)19-13-22(28-21-7-5-4-6-18(19)21)16-8-9-23-24(12-16)32-11-10-31-23/h4-9,12-13H,3,10-11H2,1-2H3,(H,29,30)