(5-ethanoyl-2-methoxy-phenyl)methyl N'-propan-2-ylcarbamimidothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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