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

Systemtic Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide Openeye Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide CAS Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide IUPAC Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanethioamide Traditional Name: 3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiopropionamide Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-16-12-3-2-11-9-15(7-5-13(14)17)6-4-10(11)8-12/h2-3,8H,4-7,9H2,1H3,(H2,14,17)