(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea CAS Name: N'-[[(2R)-2-oxolanyl]methyl]carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-[[(2R)-oxolan-2-yl]methyl]carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]isothiourea Formula: C15H21BrN2O3S MolecularWeight: 389.30784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NCC2CCCO2)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NC[C@H]2CCCO2)N)Br)OC

InChI

InChI=1S/C15H21BrN2O3S/c1-19-13-6-10(12(16)7-14(13)20-2)9-22-15(17)18-8-11-4-3-5-21-11/h6-7,11H,3-5,8-9H2,1-2H3,(H2,17,18)/t11-/m1/s1