1-octadecyl-3-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea

Systemtic Name: 1-octadecyl-3-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea Openeye Name: 1-octadecyl-3-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea CAS Name: 1-octadecyl-3-[3-[4-[3-[[(octadecylamino)-sulfanylidenemethyl]amino]propyl]-1-piperazinyl]propyl]thiourea IUPAC Name: 1-octadecyl-3-[3-[4-[3-(octadecylcarbamothioylamino)propyl]piperazin-1-yl]propyl]thiourea Traditional Name: 1-stearyl-3-[3-[4-[3-(stearylthiocarbamoylamino)propyl]piperazino]propyl]thiourea Formula: C48H98N6S2 MolecularWeight: 823.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNC(=S)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NCCCN1CCN(CC1)CCCNC(=S)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H98N6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-47(55)51-39-35-41-53-43-45-54(46-44-53)42-36-40-52-48(56)50-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H2,49,51,55)(H2,50,52,56)