(3,4-dimethylphenyl)methyl N'-phenylcarbamimidothioate chloride

Systemtic Name: (3,4-dimethylphenyl)methyl N'-phenylcarbamimidothioate chloride Openeye Name: 2-[(3,4-dimethylphenyl)methyl]-3-phenyl-isothiourea chloride CAS Name: N'-phenylcarbamimidothioic acid (3,4-dimethylphenyl)methyl ester chloride IUPAC Name: (3,4-dimethylphenyl)methyl N'-phenylcarbamimidothioate chloride Traditional Name: 2-(3,4-dimethylbenzyl)-3-phenyl-isothiourea chloride Formula: C16H18ClN2S- MolecularWeight: 305.84552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC(=NC2=CC=CC=C2)N)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)CSC(=NC2=CC=CC=C2)N)C.[Cl-]

InChI

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