[3-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate dihydrobromide

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate dihydrobromide Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)phenyl]methyl]isothiourea dihydrobromide CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]phenyl]methyl ester dihydrobromide IUPAC Name: [3-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate dihydrobromide Traditional Name: 2-[3-[(amidinothio)methyl]benzyl]isothiourea dihydrobromide Formula: C10H16Br2N4S2 MolecularWeight: 416.19884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N.Br.Br

Isomeric SMILES

C1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N.Br.Br

InChI

InChI=1S/C10H14N4S2.2BrH/c11-9(12)15-5-7-2-1-3-8(4-7)6-16-10(13)14;;/h1-4H,5-6H2,(H3,11,12)(H3,13,14);2*1H