(4-tert-butyl-2,6-dimethyl-phenyl)methyl N,N'-dimethylcarbamimidothioate hydrochloride

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N,N'-dimethylcarbamimidothioate hydrochloride Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-1,3-dimethyl-isothiourea hydrochloride CAS Name: N,N'-dimethylcarbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester hydrochloride IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N,N'-dimethylcarbamimidothioate hydrochloride Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-1,3-dimethyl-isothiourea hydrochloride Formula: C16H27ClN2S MolecularWeight: 314.91698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC)NC)C)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NC)NC)C)C(C)(C)C.Cl

InChI

InChI=1S/C16H26N2S.ClH/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-19-15(17-6)18-7;/h8-9H,10H2,1-7H3,(H,17,18);1H