N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-quinolylthio)acetamide Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C=C3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=CC=CC=C4C=C3)OCO2

InChI

InChI=1S/C20H16N2O4S/c1-12(23)14-8-17-18(26-11-25-17)9-16(14)21-19(24)10-27-20-7-6-13-4-2-3-5-15(13)22-20/h2-9H,10-11H2,1H3,(H,21,24)