N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-6,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-6,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-6,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-6,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-ethyl-6,7-dimethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C(C=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CCC1=CC2=CC(=C(C=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C23H24N2O3S/c1-4-17-10-18-7-14(2)15(3)8-19(18)25-23(17)29-12-22(26)24-11-16-5-6-20-21(9-16)28-13-27-20/h5-10H,4,11-13H2,1-3H3,(H,24,26)