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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-7-methyl-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=CC2=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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