2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate

Systemtic Name: 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate Openeye Name: 2-[2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl]isothiourea CAS Name: carbamimidothioic acid 2-[4-[2-(carbamimidoylthio)ethyl]phenyl]ethyl ester IUPAC Name: 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate Traditional Name: 2-[2-[4-[2-(amidinothio)ethyl]phenyl]ethyl]isothiourea Formula: C12H18N4S2 MolecularWeight: 282.42812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N

InChI

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