1-azanylethyl N'-heptyl-N-octyl-carbamimidothioate dihydrobromide

Systemtic Name: 1-azanylethyl N'-heptyl-N-octyl-carbamimidothioate dihydrobromide Openeye Name: 2-(1-aminoethyl)-3-heptyl-1-octyl-isothiourea dihydrobromide CAS Name: N'-heptyl-N-octylcarbamimidothioic acid 1-aminoethyl ester dihydrobromide IUPAC Name: 1-aminoethyl N'-heptyl-N-octylcarbamimidothioate dihydrobromide Traditional Name: 2-(1-aminoethyl)-3-heptyl-1-octyl-isothiourea dihydrobromide Formula: C18H41Br2N3S MolecularWeight: 491.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=NCCCCCCC)SC(C)N.Br.Br

Isomeric SMILES

CCCCCCCCNC(=NCCCCCCC)SC(C)N.Br.Br

InChI

InChI=1S/C18H39N3S.2BrH/c1-4-6-8-10-12-14-16-21-18(22-17(3)19)20-15-13-11-9-7-5-2;;/h17H,4-16,19H2,1-3H3,(H,20,21);2*1H