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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-methylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-methyl-isothiourea Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NC)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NC)N

InChI

InChI=1S/C12H16N2O2S/c1-8(15)9-4-5-11(16-3)10(6-9)7-17-12(13)14-2/h4-6H,7H2,1-3H3,(H2,13,14)