[3-(carbamimidoylsulfanylmethyl)-5-methoxy-phenyl]methyl carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N

Isomeric SMILES

COC1=CC(=CC(=C1)CSC(=N)N)CSC(=N)N

InChI

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