methyl N'-[(4-methylphenyl)-phenyl-methyl]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-[(4-methylphenyl)-phenyl-methyl]carbamimidothioate hydroiodide Openeye Name: 2-methyl-3-[phenyl(p-tolyl)methyl]isothiourea hydroiodide CAS Name: N'-[(4-methylphenyl)-phenylmethyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-[(4-methylphenyl)-phenylmethyl]carbamimidothioate hydroiodide Traditional Name: 2-methyl-3-[phenyl(p-tolyl)methyl]isothiourea hydroiodide Formula: C16H19IN2S MolecularWeight: 398.30493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N=C(N)SC.I

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)N=C(N)SC.I

InChI

InChI=1S/C16H18N2S.HI/c1-12-8-10-14(11-9-12)15(18-16(17)19-2)13-6-4-3-5-7-13;/h3-11,15H,1-2H3,(H2,17,18);1H