O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] N-methylcarbamothioate

Systemtic Name: O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] N-methylcarbamothioate Openeye Name: O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] ester IUPAC Name: O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[2-(4,5-dihydro-1H-2,3-benzoxazepin-3-yl)ethyl] ester Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCCN1CCC2=CC=CC=C2CO1

Isomeric SMILES

CNC(=S)OCCN1CCC2=CC=CC=C2CO1

InChI

InChI=1S/C13H18N2O2S/c1-14-13(18)16-9-8-15-7-6-11-4-2-3-5-12(11)10-17-15/h2-5H,6-10H2,1H3,(H,14,18)