1-[[N,N'-bis(octadecylcarbamothioylamino)carbamimidoyl]amino]-3-octadecyl-thiourea

Systemtic Name: 1-[[N,N'-bis(octadecylcarbamothioylamino)carbamimidoyl]amino]-3-octadecyl-thiourea Openeye Name: 1-[[N,N'-bis(octadecylcarbamothioylamino)carbamimidoyl]amino]-3-octadecyl-thiourea CAS Name: 1-[bis[[(octadecylamino)-sulfanylidenemethyl]hydrazo]methylideneamino]-3-octadecylthiourea IUPAC Name: 1-[[N,N'-bis(octadecylcarbamothioylamino)carbamimidoyl]amino]-3-octadecylthiourea Traditional Name: 1-[[N,N'-bis(stearylthiocarbamoylamino)amidino]amino]-3-stearyl-thiourea Formula: C58H119N9S3 MolecularWeight: 1038.82076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NNC(=NNC(=S)NCCCCCCCCCCCCCCCCCC)NNC(=S)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NNC(=NNC(=S)NCCCCCCCCCCCCCCCCCC)NNC(=S)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C58H119N9S3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-59-56(68)65-62-55(63-66-57(69)60-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)64-67-58(70)61-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3,(H2,59,65,68)(H2,60,66,69)(H2,61,67,70)(H2,62,63,64)