N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,7,8-trimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H22N2O3S/c1-13-4-5-16-10-14(2)22(24-21(16)15(13)3)28-12-20(25)23-17-6-7-18-19(11-17)27-9-8-26-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)