(5-ethanoyl-2-ethoxy-phenyl)methyl N'-methylcarbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-methylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-methyl-isothiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC)N

InChI

InChI=1S/C13H18N2O2S/c1-4-17-12-6-5-10(9(2)16)7-11(12)8-18-13(14)15-3/h5-7H,4,8H2,1-3H3,(H2,14,15)