octacosyl carbamimidothioate bromide

Systemtic Name: octacosyl carbamimidothioate bromide Openeye Name: 2-octacosylisothiourea bromide CAS Name: carbamimidothioic acid octacosyl ester bromide IUPAC Name: octacosyl carbamimidothioate bromide Traditional Name: 2-montanylisothiourea bromide Formula: C29H60BrN2S- MolecularWeight: 548.7691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCSC(=N)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCSC(=N)N.[Br-]

InChI

InChI=1S/C29H60N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-29(30)31;/h2-28H2,1H3,(H3,30,31);1H/p-1