2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cinchoninamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O3S/c1-2-19-24-25-21(29-19)23-20(26)14-10-16(22-15-6-4-3-5-13(14)15)12-7-8-17-18(9-12)28-11-27-17/h3-10H,2,11H2,1H3,(H,23,25,26)