O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate

Systemtic Name: O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate Openeye Name: O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate CAS Name: carbamothioic acid O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester IUPAC Name: O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid O-[[(3S)-2-ethyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl] ester Formula: C13H18N2OS MolecularWeight: 250.35982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=CC=CC=C2CC1COC(=S)N

Isomeric SMILES

CCN1CC2=CC=CC=C2C[C@H]1COC(=S)N

InChI

InChI=1S/C13H18N2OS/c1-2-15-8-11-6-4-3-5-10(11)7-12(15)9-16-13(14)17/h3-6,12H,2,7-9H2,1H3,(H2,14,17)/t12-/m0/s1