(5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-(3,4-dimethylphenyl)isothiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC(=C(C=C2)C)C)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NC2=CC(=C(C=C2)C)C)N

InChI

InChI=1S/C20H24N2O2S/c1-5-24-19-9-7-16(15(4)23)11-17(19)12-25-20(21)22-18-8-6-13(2)14(3)10-18/h6-11H,5,12H2,1-4H3,(H2,21,22)