N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7-dimethyl-2-quinolyl)thio]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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