2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide

Systemtic Name: 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide Openeye Name: 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)thioacetamide CAS Name: 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide IUPAC Name: 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanethioamide Traditional Name: 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)thioacetamide Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)CC(=S)N)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)CC(=S)N)C=C1

InChI

InChI=1S/C12H16N2OS/c1-15-11-3-2-10-7-14(8-12(13)16)5-4-9(10)6-11/h2-3,6H,4-5,7-8H2,1H3,(H2,13,16)