4-(N'-butylcarbamimidoyl)sulfanylbutyl N'-butylcarbamimidothioate bromide

Systemtic Name: 4-(N'-butylcarbamimidoyl)sulfanylbutyl N'-butylcarbamimidothioate bromide Openeye Name: 3-butyl-2-[4-(N'-butylcarbamimidoyl)sulfanylbutyl]isothiourea bromide CAS Name: N'-butylcarbamimidothioic acid 4-[[amino(butylimino)methyl]thio]butyl ester bromide IUPAC Name: 4-(N'-butylcarbamimidoyl)sulfanylbutyl N'-butylcarbamimidothioate bromide Traditional Name: 3-butyl-2-[4-[(N'-butylamidino)thio]butyl]isothiourea bromide Formula: C14H30BrN4S2- MolecularWeight: 398.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N4S2.BrH/c1-3-5-9-17-13(15)19-11-7-8-12-20-14(16)18-10-6-4-2;/h3-12H2,1-2H3,(H2,15,17)(H2,16,18);1H/p-1