O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] N-methylcarbamothioate

Systemtic Name: O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] N-methylcarbamothioate Openeye Name: O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] ester IUPAC Name: O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl] ester Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCC1CC2=CC=CC=C2CN1C

Isomeric SMILES

CNC(=S)OCC1CC2=CC=CC=C2CN1C

InChI

InChI=1S/C13H18N2OS/c1-14-13(17)16-9-12-7-10-5-3-4-6-11(10)8-15(12)2/h3-6,12H,7-9H2,1-2H3,(H,14,17)