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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-(2-methoxyethyl)isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-(2-methoxyethyl)isothiourea Formula: C13H19BrN2O3S MolecularWeight: 363.27056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O3S/c1-17-5-4-16-13(15)20-8-9-6-11(18-2)12(19-3)7-10(9)14/h6-7H,4-5,8H2,1-3H3,(H2,15,16)