(4-tert-butyl-2,6-dimethyl-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester hydrochloride IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)isothiourea hydrochloride Formula: C14H23ClN2S MolecularWeight: 286.86382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2S.ClH/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-17-13(15)16;/h6-7H,8H2,1-5H3,(H3,15,16);1H