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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(2-bromo-4,5-dimethoxy-benzyl)isothiourea Formula: C13H17BrN2O2S MolecularWeight: 345.25528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NCC=C)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NCC=C)N)Br)OC

InChI

InChI=1S/C13H17BrN2O2S/c1-4-5-16-13(15)19-8-9-6-11(17-2)12(18-3)7-10(9)14/h4,6-7H,1,5,8H2,2-3H3,(H2,15,16)