N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-5,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-ethyl-5,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethyl-5,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-ethyl-5,8-dimethyl-2-quinolyl)thio]-N-piperonyl-acetamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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