N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3,6-dimethyl-2-quinolyl)thio]acetamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H18N2O3S/c1-12-3-5-16-14(7-12)8-13(2)20(22-16)26-10-19(23)21-15-4-6-17-18(9-15)25-11-24-17/h3-9H,10-11H2,1-2H3,(H,21,23)