bis(4-methylphenyl)phosphorylmethyl carbamimidothioate hydrochloride

Systemtic Name: bis(4-methylphenyl)phosphorylmethyl carbamimidothioate hydrochloride Openeye Name: 2-(bis-p-tolylphosphorylmethyl)isothiourea hydrochloride CAS Name: carbamimidothioic acid bis(4-methylphenyl)phosphorylmethyl ester hydrochloride IUPAC Name: bis(4-methylphenyl)phosphorylmethyl carbamimidothioate hydrochloride Traditional Name: 2-(bis-p-tolylphosphorylmethyl)isothiourea hydrochloride Formula: C16H20ClN2OPS MolecularWeight: 354.834561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)P(=O)(CSC(=N)N)C2=CC=C(C=C2)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)P(=O)(CSC(=N)N)C2=CC=C(C=C2)C.Cl

InChI

InChI=1S/C16H19N2OPS.ClH/c1-12-3-7-14(8-4-12)20(19,11-21-16(17)18)15-9-5-13(2)6-10-15;/h3-10H,11H2,1-2H3,(H3,17,18);1H