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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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