(3-hexadecoxy-2-methoxy-propyl) [3-[[methyl(methylcarbamothioyl)amino]methyl]phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[[methyl(methylcarbamothioyl)amino]methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[[methyl(methylcarbamothioyl)amino]methyl]phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [3-[[methyl-[methylamino(sulfanylidene)methyl]amino]methyl]phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[[methyl(methylcarbamothioyl)amino]methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[[methyl(methylthiocarbamoyl)amino]methyl]phenyl] hydrogen phosphate Formula: C30H55N2O6PS MolecularWeight: 602.806261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN(C)C(=S)NC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CN(C)C(=S)NC)OC

InChI

InChI=1S/C30H55N2O6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-36-25-29(35-4)26-37-39(33,34)38-28-21-19-20-27(23-28)24-32(3)30(40)31-2/h19-21,23,29H,5-18,22,24-26H2,1-4H3,(H,31,40)(H,33,34)