5-(N'-butylcarbamimidoyl)sulfanylpentyl N'-butylcarbamimidothioate bromide

Systemtic Name: 5-(N'-butylcarbamimidoyl)sulfanylpentyl N'-butylcarbamimidothioate bromide Openeye Name: 3-butyl-2-[5-(N'-butylcarbamimidoyl)sulfanylpentyl]isothiourea bromide CAS Name: N'-butylcarbamimidothioic acid 5-[[amino(butylimino)methyl]thio]pentyl ester bromide IUPAC Name: 5-(N'-butylcarbamimidoyl)sulfanylpentyl N'-butylcarbamimidothioate bromide Traditional Name: 3-butyl-2-[5-[(N'-butylamidino)thio]pentyl]isothiourea bromide Formula: C15H32BrN4S2- MolecularWeight: 412.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCCCCCSC(=NCCCC)N.[Br-]

Isomeric SMILES

CCCCN=C(N)SCCCCCSC(=NCCCC)N.[Br-]

InChI

InChI=1S/C15H32N4S2.BrH/c1-3-5-10-18-14(16)20-12-8-7-9-13-21-15(17)19-11-6-4-2;/h3-13H2,1-2H3,(H2,16,18)(H2,17,19);1H/p-1