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

Systemtic Name: O-[[2-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl] N-methylcarbamothioate Openeye Name: O-[[2-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[[2-[anilino(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester IUPAC Name: O-[[2-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[[2-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCC1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC=C3

Isomeric SMILES

CNC(=S)OCC1CC2=CC=CC=C2CN1C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-20-19(25)24-13-17-11-14-7-5-6-8-15(14)12-22(17)18(23)21-16-9-3-2-4-10-16/h2-10,17H,11-13H2,1H3,(H,20,25)(H,21,23)