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

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

Systemtic Name:2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate
Openeye Name:2-[2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea
CAS Name:carbamimidothioic acid 2-[3-[2-(carbamimidoylthio)ethyl]phenyl]ethyl ester
IUPAC Name:2-[3-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate
Traditional Name:2-[2-[3-[2-(amidinothio)ethyl]phenyl]ethyl]isothiourea
Formula: C12H18N4S2
MolecularWeight: 282.42812
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCSC(=N)N)CCSC(=N)N


Isomeric SMILES

C1=CC(=CC(=C1)CCSC(=N)N)CCSC(=N)N


InChI

InChI=1S/C12H18N4S2/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)


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