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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]cinchoninamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O3S2/c1-2-29-21-25-24-20(30-21)23-19(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,23,24,26)