2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]sulfanylethanamide

Systemtic Name: 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]sulfanylethanamide Openeye Name: 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]sulfanylacetamide CAS Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]thio]acetamide IUPAC Name: 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]sulfanylacetamide Traditional Name: 2-[[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]thio]acetamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCSCC(=O)N)OC

InChI

InChI=1S/C16H22N2O4S/c1-21-13-7-11-3-5-18(9-12(11)8-14(13)22-2)16(20)4-6-23-10-15(17)19/h7-8H,3-6,9-10H2,1-2H3,(H2,17,19)