methyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate iodide

Systemtic Name: methyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate iodide Openeye Name: 1-[(4-chlorophenyl)methyl]-2,3-dimethyl-isothiourea iodide CAS Name: N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioic acid methyl ester iodide IUPAC Name: methyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate iodide Traditional Name: 1-(4-chlorobenzyl)-2,3-dimethyl-isothiourea iodide Formula: C10H13ClIN2S- MolecularWeight: 355.64609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1=CC=C(C=C1)Cl)SC.[I-]

Isomeric SMILES

CN=C(NCC1=CC=C(C=C1)Cl)SC.[I-]

InChI

InChI=1S/C10H13ClN2S.HI/c1-12-10(14-2)13-7-8-3-5-9(11)6-4-8;/h3-6H,7H2,1-2H3,(H,12,13);1H/p-1