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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-propylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-propyl-isothiourea Formula: C13H19BrN2O2S MolecularWeight: 347.27116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2S/c1-4-5-16-13(15)19-8-9-6-11(17-2)12(18-3)7-10(9)14/h6-7H,4-5,8H2,1-3H3,(H2,15,16)