2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate hydrobromide

Systemtic Name: 2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate hydrobromide Openeye Name: 2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 2-[3-[2-(carbamimidoylthio)ethyl]phenyl]ethyl ester hydrobromide IUPAC Name: 2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate hydrobromide Traditional Name: 2-[2-[3-[2-(amidinothio)ethyl]phenyl]ethyl]isothiourea hydrobromide Formula: C12H19BrN4S2 MolecularWeight: 363.34006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4S2.BrH/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16;/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16);1H