S-(2-methoxy-3-phenylmethoxy-propyl) N-octadecylcarbamothioate

Systemtic Name: S-(2-methoxy-3-phenylmethoxy-propyl) N-octadecylcarbamothioate Openeye Name: S-(3-benzyloxy-2-methoxy-propyl) N-octadecylcarbamothioate CAS Name: N-octadecylcarbamothioic acid S-(2-methoxy-3-phenylmethoxypropyl) ester IUPAC Name: S-(2-methoxy-3-phenylmethoxypropyl) N-octadecylcarbamothioate Traditional Name: N-stearylthiocarbamic acid S-(3-benzoxy-2-methoxy-propyl) ester Formula: C30H53NO3S MolecularWeight: 507.81172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)SCC(COCC1=CC=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)SCC(COCC1=CC=CC=C1)OC

InChI

InChI=1S/C30H53NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-30(32)35-27-29(33-2)26-34-25-28-22-19-18-20-23-28/h18-20,22-23,29H,3-17,21,24-27H2,1-2H3,(H,31,32)