[3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl carbamimidothioate dihydrobromide

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl carbamimidothioate dihydrobromide Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethyl-phenyl]methyl]isothiourea dihydrobromide CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2,4,6-trimethylphenyl]methyl ester dihydrobromide IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2,4,6-trimethylphenyl]methyl carbamimidothioate dihydrobromide Traditional Name: 2-[3-[(amidinothio)methyl]-2,4,6-trimethyl-benzyl]isothiourea dihydrobromide Formula: C13H22Br2N4S2 MolecularWeight: 458.27858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CSC(=N)N)C)CSC(=N)N)C.Br.Br

Isomeric SMILES

CC1=CC(=C(C(=C1CSC(=N)N)C)CSC(=N)N)C.Br.Br

InChI

InChI=1S/C13H20N4S2.2BrH/c1-7-4-8(2)11(6-19-13(16)17)9(3)10(7)5-18-12(14)15;;/h4H,5-6H2,1-3H3,(H3,14,15)(H3,16,17);2*1H