(5-ethanoyl-2-ethoxy-phenyl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methyl]-3-allyl-isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-ethoxy-benzyl)-3-allyl-isothiourea Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2S/c1-4-8-17-15(16)20-10-13-9-12(11(3)18)6-7-14(13)19-5-2/h4,6-7,9H,1,5,8,10H2,2-3H3,(H2,16,17)