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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N,N'-diethylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,3-diethyl-isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N,N'-diethylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-1,3-diethyl-isothiourea Formula: C14H21BrN2O2S MolecularWeight: 361.29774

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CCNC(=NCC)SCC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C14H21BrN2O2S/c1-5-16-14(17-6-2)20-9-10-7-12(18-3)13(19-4)8-11(10)15/h7-8H,5-6,9H2,1-4H3,(H,16,17)