(2,3,4,5,6-pentamethylphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (2,3,4,5,6-pentamethylphenyl)methyl ester hydrochloride IUPAC Name: (2,3,4,5,6-pentamethylphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(2,3,4,5,6-pentamethylbenzyl)isothiourea hydrochloride Formula: C13H21ClN2S MolecularWeight: 272.83724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=N)N)C)C.Cl

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=N)N)C)C.Cl

InChI

InChI=1S/C13H20N2S.ClH/c1-7-8(2)10(4)12(6-16-13(14)15)11(5)9(7)3;/h6H2,1-5H3,(H3,14,15);1H