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7-carbamimidoylsulfanylheptyl carbamimidothioate bromide

7-carbamimidoylsulfanylheptyl carbamimidothioate bromide

Systemtic Name:7-carbamimidoylsulfanylheptyl carbamimidothioate bromide
Openeye Name:2-(7-carbamimidoylsulfanylheptyl)isothiourea bromide
CAS Name:carbamimidothioic acid 7-(carbamimidoylthio)heptyl ester bromide
IUPAC Name:7-carbamimidoylsulfanylheptyl carbamimidothioate bromide
Traditional Name:2-[7-(amidinothio)heptyl]isothiourea bromide
Formula: C9H20BrN4S2-
MolecularWeight: 328.3159
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCSC(=N)N)CCCSC(=N)N.[Br-]


Isomeric SMILES

C(CCCSC(=N)N)CCCSC(=N)N.[Br-]


InChI

InChI=1S/C9H20N4S2.BrH/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13;/h1-7H2,(H3,10,11)(H3,12,13);1H/p-1


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