S-[3-(3-iodanylpropylsulfonylamino)-2-methoxy-propyl] N-octadecylcarbamothioate

Systemtic Name: S-[3-(3-iodanylpropylsulfonylamino)-2-methoxy-propyl] N-octadecylcarbamothioate Openeye Name: S-[3-(3-iodopropylsulfonylamino)-2-methoxy-propyl] N-octadecylcarbamothioate CAS Name: N-octadecylcarbamothioic acid S-[3-(3-iodopropylsulfonylamino)-2-methoxypropyl] ester IUPAC Name: S-[3-(3-iodopropylsulfonylamino)-2-methoxypropyl] N-octadecylcarbamothioate Traditional Name: N-stearylthiocarbamic acid S-[3-(3-iodopropylsulfonylamino)-2-methoxy-propyl] ester Formula: C26H53IN2O4S2 MolecularWeight: 648.74449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)SCC(CNS(=O)(=O)CCCI)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)SCC(CNS(=O)(=O)CCCI)OC

InChI

InChI=1S/C26H53IN2O4S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-26(30)34-24-25(33-2)23-29-35(31,32)22-19-20-27/h25,29H,3-24H2,1-2H3,(H,28,30)