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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-tert-butyl-isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-tert-butyl-isothiourea Formula: C14H21BrN2O2S MolecularWeight: 361.29774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2S/c1-14(2,3)17-13(16)20-8-9-6-11(18-4)12(19-5)7-10(9)15/h6-7H,8H2,1-5H3,(H2,16,17)