[3-(carbamimidoylsulfanylmethyl)-5-methyl-2-oxidanyl-phenyl]methyl carbamimidothioate

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-5-methyl-2-oxidanyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2-hydroxy-5-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2-hydroxy-5-methylphenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2-hydroxy-5-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-2-hydroxy-5-methyl-benzyl]isothiourea Formula: C11H16N4OS2 MolecularWeight: 284.40094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CSC(=N)N)O)CSC(=N)N

Isomeric SMILES

CC1=CC(=C(C(=C1)CSC(=N)N)O)CSC(=N)N

InChI

InChI=1S/C11H16N4OS2/c1-6-2-7(4-17-10(12)13)9(16)8(3-6)5-18-11(14)15/h2-3,16H,4-5H2,1H3,(H3,12,13)(H3,14,15)