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

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(phenylcarbamothioylamino)methyl]phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [3-[(phenylcarbamothioylamino)methyl]phenyl] hydrogen phosphate CAS Name: [3-[[[anilino(sulfanylidene)methyl]amino]methyl]phenyl] (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [3-[(phenylcarbamothioylamino)methyl]phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [3-[(phenylthiocarbamoylamino)methyl]phenyl] hydrogen phosphate Formula: C34H55N2O6PS MolecularWeight: 650.849061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CNC(=S)NC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)CNC(=S)NC2=CC=CC=C2)OC

InChI

InChI=1S/C34H55N2O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-40-28-33(39-2)29-41-43(37,38)42-32-24-20-21-30(26-32)27-35-34(44)36-31-22-17-16-18-23-31/h16-18,20-24,26,33H,3-15,19,25,27-29H2,1-2H3,(H,37,38)(H2,35,36,44)