(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-ethylcarbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-ethylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-ethyl-isothiourea CAS Name: N'-ethylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-ethylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-ethyl-isothiourea Formula: C12H17BrN2O2S MolecularWeight: 333.24458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)SCC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CCN=C(N)SCC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C12H17BrN2O2S/c1-4-15-12(14)18-7-8-5-10(16-2)11(17-3)6-9(8)13/h5-6H,4,7H2,1-3H3,(H2,14,15)