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

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-2,5-diethoxy-phenyl]methyl carbamimidothioate chloride Openeye Name: 2-[[3-(carbamimidoylsulfanylmethyl)-2,5-diethoxy-phenyl]methyl]isothiourea chloride CAS Name: carbamimidothioic acid [3-[(carbamimidoylthio)methyl]-2,5-diethoxyphenyl]methyl ester chloride IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-2,5-diethoxyphenyl]methyl carbamimidothioate chloride Traditional Name: 2-[3-[(amidinothio)methyl]-2,5-diethoxy-benzyl]isothiourea chloride Formula: C14H22ClN4O2S2- MolecularWeight: 377.93308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)CSC(=N)N)OCC)CSC(=N)N.[Cl-]

Isomeric SMILES

CCOC1=CC(=C(C(=C1)CSC(=N)N)OCC)CSC(=N)N.[Cl-]

InChI

InChI=1S/C14H22N4O2S2.ClH/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);1H/p-1