N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H22N2O3S/c1-14-5-3-6-17-15(2)11-21(24-22(14)17)28-13-20(25)23-16-7-8-18-19(12-16)27-10-4-9-26-18/h3,5-8,11-12H,4,9-10,13H2,1-2H3,(H,23,25)