O-[(2R)-2-azanyl-3-phenyl-propyl] N-octylcarbamothioate hydrochloride

Systemtic Name: O-[(2R)-2-azanyl-3-phenyl-propyl] N-octylcarbamothioate hydrochloride Openeye Name: O-[(2R)-2-amino-3-phenyl-propyl] N-octylcarbamothioate hydrochloride CAS Name: N-octylcarbamothioic acid O-[(2R)-2-amino-3-phenylpropyl] ester hydrochloride IUPAC Name: O-[(2R)-2-amino-3-phenylpropyl] N-octylcarbamothioate hydrochloride Traditional Name: N-octylthiocarbamic acid O-[(2R)-2-amino-3-phenyl-propyl] ester hydrochloride Formula: C18H31ClN2OS MolecularWeight: 358.96954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)OCC(CC1=CC=CC=C1)N.Cl

Isomeric SMILES

CCCCCCCCNC(=S)OC[C@@H](CC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C18H30N2OS.ClH/c1-2-3-4-5-6-10-13-20-18(22)21-15-17(19)14-16-11-8-7-9-12-16;/h7-9,11-12,17H,2-6,10,13-15,19H2,1H3,(H,20,22);1H/t17-;/m1./s1