[2-[4-[1,2-bis(carbamimidoylsulfanyl)ethyl]phenyl]-2-carbamimidoylsulfanyl-ethyl] carbamimidothioate

Systemtic Name: [2-[4-[1,2-bis(carbamimidoylsulfanyl)ethyl]phenyl]-2-carbamimidoylsulfanyl-ethyl] carbamimidothioate Openeye Name: 2-[1-[4-[1,2-bis(carbamimidoylsulfanyl)ethyl]phenyl]-2-carbamimidoylsulfanyl-ethyl]isothiourea CAS Name: carbamimidothioic acid [2-[4-[1,2-bis(carbamimidoylthio)ethyl]phenyl]-2-(carbamimidoylthio)ethyl] ester IUPAC Name: [2-[4-[1,2-bis(carbamimidoylsulfanyl)ethyl]phenyl]-2-carbamimidoylsulfanylethyl] carbamimidothioate Traditional Name: 2-[2-(amidinothio)-1-[4-[1,2-bis(amidinothio)ethyl]phenyl]ethyl]isothiourea Formula: C14H22N8S4 MolecularWeight: 430.63808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CSC(=N)N)SC(=N)N)C(CSC(=N)N)SC(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(CSC(=N)N)SC(=N)N)C(CSC(=N)N)SC(=N)N

InChI

InChI=1S/C14H22N8S4/c15-11(16)23-5-9(25-13(19)20)7-1-2-8(4-3-7)10(26-14(21)22)6-24-12(17)18/h1-4,9-10H,5-6H2,(H3,15,16)(H3,17,18)(H3,19,20)(H3,21,22)