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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl N'-propylcarbamimidothioate Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)-3-propyl-isothiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N)SCC1=C(C=CC(=C1)C(=O)C)OC

Isomeric SMILES

CCCN=C(N)SCC1=C(C=CC(=C1)C(=O)C)OC

InChI

InChI=1S/C14H20N2O2S/c1-4-7-16-14(15)19-9-12-8-11(10(2)17)5-6-13(12)18-3/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16)