(4-tert-butylphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-tert-butylphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-tert-butylphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-tert-butylphenyl)methyl ester hydrochloride IUPAC Name: (4-tert-butylphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-tert-butylbenzyl)isothiourea hydrochloride Formula: C12H19ClN2S MolecularWeight: 258.81066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C12H18N2S.ClH/c1-12(2,3)10-6-4-9(5-7-10)8-15-11(13)14;/h4-7H,8H2,1-3H3,(H3,13,14);1H