[4-bromanyl-3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate hydrobromide

Systemtic Name: [4-bromanyl-3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[[2-bromo-3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid [4-bromo-3,5-bis[(carbamimidoylthio)methyl]phenyl]methyl ester hydrobromide IUPAC Name: [4-bromo-3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate hydrobromide Traditional Name: 2-[3,5-bis[(amidinothio)methyl]-2-bromo-benzyl]isothiourea hydrobromide Formula: C12H18Br2N6S3 MolecularWeight: 502.31452

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CSC(=N)N)Br)CSC(=N)N)CSC(=N)N.Br

Isomeric SMILES

C1=C(C=C(C(=C1CSC(=N)N)Br)CSC(=N)N)CSC(=N)N.Br

InChI

InChI=1S/C12H17BrN6S3.BrH/c13-9-7(4-21-11(16)17)1-6(3-20-10(14)15)2-8(9)5-22-12(18)19;/h1-2H,3-5H2,(H3,14,15)(H3,16,17)(H3,18,19);1H