(5-ethanoyl-2-ethoxy-phenyl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]carbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-o-anisyl-isothiourea Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NCC2=CC=CC=C2OC)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC(=NCC2=CC=CC=C2OC)N

InChI

InChI=1S/C20H24N2O3S/c1-4-25-19-10-9-15(14(2)23)11-17(19)13-26-20(21)22-12-16-7-5-6-8-18(16)24-3/h5-11H,4,12-13H2,1-3H3,(H2,21,22)