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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-5,7-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-5,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-5,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-5,7-dimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=C(C2=C1)C)C)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(N=C2C=C(C=C(C2=C1)C)C)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3S/c1-4-15-9-17-14(3)7-13(2)8-18(17)24-22(15)28-11-21(25)23-16-5-6-19-20(10-16)27-12-26-19/h5-10H,4,11-12H2,1-3H3,(H,23,25)