O-[2-(dimethylamino)-3-phenyl-propyl] N-methylcarbamothioate hydrochloride

Systemtic Name: O-[2-(dimethylamino)-3-phenyl-propyl] N-methylcarbamothioate hydrochloride Openeye Name: O-[2-(dimethylamino)-3-phenyl-propyl] N-methylcarbamothioate hydrochloride CAS Name: N-methylcarbamothioic acid O-[2-(dimethylamino)-3-phenylpropyl] ester hydrochloride IUPAC Name: O-[2-(dimethylamino)-3-phenylpropyl] N-methylcarbamothioate hydrochloride Traditional Name: N-methylthiocarbamic acid O-[2-(dimethylamino)-3-phenyl-propyl] ester hydrochloride Formula: C13H21ClN2OS MolecularWeight: 288.83664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCC(CC1=CC=CC=C1)N(C)C.Cl

Isomeric SMILES

CNC(=S)OCC(CC1=CC=CC=C1)N(C)C.Cl

InChI

InChI=1S/C13H20N2OS.ClH/c1-14-13(17)16-10-12(15(2)3)9-11-7-5-4-6-8-11;/h4-8,12H,9-10H2,1-3H3,(H,14,17);1H