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

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2,5-diethoxy-phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2,5-diethoxy-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2,5-diethoxyphenyl]methyl ester IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2,5-diethoxyphenyl]methyl carbamimidothioate Traditional Name: 2-[3-[(amidinothio)methyl]-2,5-diethoxy-benzyl]isothiourea Formula: C14H22N4O2S2 MolecularWeight: 342.48008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)CSC(=N)N)OCC)CSC(=N)N

Isomeric SMILES

CCOC1=CC(=C(C(=C1)CSC(=N)N)OCC)CSC(=N)N

InChI

InChI=1S/C14H22N4O2S2/c1-3-19-11-5-9(7-21-13(15)16)12(20-4-2)10(6-11)8-22-14(17)18/h5-6H,3-4,7-8H2,1-2H3,(H3,15,16)(H3,17,18)