[4-(2-methylpropoxy)phenyl]methyl carbamimidothioate hydrochloride

Systemtic Name: [4-(2-methylpropoxy)phenyl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-isobutoxyphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [4-(2-methylpropoxy)phenyl]methyl ester hydrochloride IUPAC Name: [4-(2-methylpropoxy)phenyl]methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-isobutoxybenzyl)isothiourea hydrochloride Formula: C12H19ClN2OS MolecularWeight: 274.81006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C12H18N2OS.ClH/c1-9(2)7-15-11-5-3-10(4-6-11)8-16-12(13)14;/h3-6,9H,7-8H2,1-2H3,(H3,13,14);1H