N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-quinolylthio)acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S/c24-20(14-27-21-8-6-16-3-1-2-4-17(16)23-21)22-10-9-15-5-7-18-19(13-15)26-12-11-25-18/h1-8,13H,9-12,14H2,(H,22,24)