[4-(carbamimidoylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl carbamimidothioate chloride

Systemtic Name: [4-(carbamimidoylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl carbamimidothioate chloride Openeye Name: 2-[[4-(carbamimidoylsulfanylmethyl)-2,5-dimethyl-phenyl]methyl]isothiourea chloride CAS Name: carbamimidothioic acid [4-[(carbamimidoylthio)methyl]-2,5-dimethylphenyl]methyl ester chloride IUPAC Name: [4-(carbamimidoylsulfanylmethyl)-2,5-dimethylphenyl]methyl carbamimidothioate chloride Traditional Name: 2-[4-[(amidinothio)methyl]-2,5-dimethyl-benzyl]isothiourea chloride Formula: C12H18ClN4S2- MolecularWeight: 317.88112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC(=N)N)C)CSC(=N)N.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1CSC(=N)N)C)CSC(=N)N.[Cl-]

InChI

InChI=1S/C12H18N4S2.ClH/c1-7-3-10(6-18-12(15)16)8(2)4-9(7)5-17-11(13)14;/h3-4H,5-6H2,1-2H3,(H3,13,14)(H3,15,16);1H/p-1