(5-ethanoyl-2-propan-2-yloxy-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (5-ethanoyl-2-propan-2-yloxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(5-acetyl-2-isopropoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (5-acetyl-2-propan-2-yloxyphenyl)methyl ester hydrochloride IUPAC Name: (5-acetyl-2-propan-2-yloxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(5-acetyl-2-isopropoxy-benzyl)isothiourea hydrochloride Formula: C13H19ClN2O2S MolecularWeight: 302.82016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S.ClH/c1-8(2)17-12-5-4-10(9(3)16)6-11(12)7-18-13(14)15;/h4-6,8H,7H2,1-3H3,(H3,14,15);1H