N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(2-quinolinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-ethyl-N-piperonyl-2-(2-quinolylthio)acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-23(12-15-7-9-18-19(11-15)26-14-25-18)21(24)13-27-20-10-8-16-5-3-4-6-17(16)22-20/h3-11H,2,12-14H2,1H3