O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-pyrrolidin-1-ylethyl)carbamothioate

Systemtic Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-pyrrolidin-1-ylethyl)carbamothioate Openeye Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-pyrrolidin-1-ylethyl)carbamothioate CAS Name: N-[2-(1-pyrrolidinyl)ethyl]carbamothioic acid O-[2,3-bis[(E)-octadec-9-enoxy]propyl] ester IUPAC Name: O-[2,3-bis[(E)-octadec-9-enoxy]propyl] N-(2-pyrrolidin-1-ylethyl)carbamothioate Traditional Name: N-(2-pyrrolidinoethyl)thiocarbamic acid O-[2,3-bis[(E)-octadec-9-enoxy]propyl] ester Formula: C46H88N2O3S MolecularWeight: 749.26752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COC(=S)NCCN1CCCC1)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(COC(=S)NCCN1CCCC1)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H88N2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-49-43-45(44-51-46(52)47-37-40-48-38-33-34-39-48)50-42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44H2,1-2H3,(H,47,52)/b19-17+,20-18+