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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CSC(=N)N)CSC(=N)N.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1C)CSC(=N)N)CSC(=N)N.[Cl-]

InChI

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