O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-dimethylaminoethyl)carbamothioate

Systemtic Name: O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-dimethylaminoethyl)carbamothioate Openeye Name: O-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] N-(2-dimethylaminoethyl)carbamothioate CAS Name: N-(2-dimethylaminoethyl)carbamothioic acid O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] ester IUPAC Name: O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-dimethylaminoethyl)carbamothioate Traditional Name: N-(2-dimethylaminoethyl)thiocarbamic acid O-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C44H86N2O3S MolecularWeight: 723.23024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=S)NCCN(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=S)NCCN(C)C)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H86N2O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-47-41-43(49-44(50)45-37-38-46(3)4)42-48-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,43H,5-18,23-42H2,1-4H3,(H,45,50)/b21-19+,22-20+