[3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate

Systemtic Name: [3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3,5-bis[(carbamimidoylthio)methyl]phenyl]methyl ester IUPAC Name: [3,5-bis(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate Traditional Name: 2-[3,5-bis[(amidinothio)methyl]benzyl]isothiourea Formula: C12H18N6S3 MolecularWeight: 342.50652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N6S3/c13-10(14)19-4-7-1-8(5-20-11(15)16)3-9(2-7)6-21-12(17)18/h1-3H,4-6H2,(H3,13,14)(H3,15,16)(H3,17,18)