[2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate

Systemtic Name: [2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2,3,4,5,6-pentakis[(carbamimidoylthio)methyl]phenyl]methyl ester IUPAC Name: [2,3,4,5,6-pentakis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate Traditional Name: 2-[2,3,4,5,6-pentakis[(amidinothio)methyl]benzyl]isothiourea Formula: C18H30N12S6 MolecularWeight: 606.9012

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)SC(=N)N

Isomeric SMILES

C(C1=C(C(=C(C(=C1CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)SC(=N)N

InChI

InChI=1S/C18H30N12S6/c19-13(20)31-1-7-8(2-32-14(21)22)10(4-34-16(25)26)12(6-36-18(29)30)11(5-35-17(27)28)9(7)3-33-15(23)24/h1-6H2,(H3,19,20)(H3,21,22)(H3,23,24)(H3,25,26)(H3,27,28)(H3,29,30)