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

Systemtic Name: N-(3-aminocarbonyl-4-ethyl-5-methyl-thiophen-2-yl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4-ethyl-5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-4-ethyl-5-methyl-2-thienyl)cinchoninamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4S/c1-3-15-13(2)33-25(22(15)23(26)29)28-24(30)17-11-19(27-18-7-5-4-6-16(17)18)14-8-9-20-21(10-14)32-12-31-20/h4-11H,3,12H2,1-2H3,(H2,26,29)(H,28,30)