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

Systemtic Name: O-[(2R)-2-azanyl-3-phenyl-propyl] N-octylcarbamothioate Openeye Name: O-[(2R)-2-amino-3-phenyl-propyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic acid O-[(2R)-2-amino-3-phenylpropyl] ester IUPAC Name: O-[(2R)-2-amino-3-phenylpropyl] N-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid O-[(2R)-2-amino-3-phenyl-propyl] ester Formula: C18H30N2OS MolecularWeight: 322.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2OS/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)/t17-/m1/s1