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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-phenethyl-isothiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCCC2=CC=CC=C2)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC(=NCCC2=CC=CC=C2)N

InChI

InChI=1S/C19H22N2O2S/c1-14(22)16-8-9-18(23-2)17(12-16)13-24-19(20)21-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21)