3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propanethioamide Openeye Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanethioamide CAS Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanethioamide IUPAC Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanethioamide Traditional Name: 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-thiopropionamide Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CC(=S)N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CC(=S)N)OC

InChI

InChI=1S/C14H18N2O3S/c1-18-11-5-9-3-4-16(14(17)7-13(15)20)8-10(9)6-12(11)19-2/h5-6H,3-4,7-8H2,1-2H3,(H2,15,20)