methyl N,N'-bis(phenylmethyl)carbamimidothioate hydroiodide

Systemtic Name: methyl N,N'-bis(phenylmethyl)carbamimidothioate hydroiodide Openeye Name: 1,3-dibenzyl-2-methyl-isothiourea hydroiodide CAS Name: N,N'-bis(phenylmethyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N,N'-dibenzylcarbamimidothioate hydroiodide Traditional Name: 1,3-dibenzyl-2-methyl-isothiourea hydroiodide Formula: C16H19IN2S MolecularWeight: 398.30493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)NCC2=CC=CC=C2.I

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)NCC2=CC=CC=C2.I

InChI

InChI=1S/C16H18N2S.HI/c1-19-16(17-12-14-8-4-2-5-9-14)18-13-15-10-6-3-7-11-15;/h2-11H,12-13H2,1H3,(H,17,18);1H