(4-propan-2-yloxyphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-propan-2-yloxyphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-isopropoxyphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-propan-2-yloxyphenyl)methyl ester hydrochloride IUPAC Name: (4-propan-2-yloxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-isopropoxybenzyl)isothiourea hydrochloride Formula: C11H17ClN2OS MolecularWeight: 260.78348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C11H16N2OS.ClH/c1-8(2)14-10-5-3-9(4-6-10)7-15-11(12)13;/h3-6,8H,7H2,1-2H3,(H3,12,13);1H