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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-cyclopentyl-isothiourea Formula: C15H21BrN2O2S MolecularWeight: 373.30844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NC2CCCC2)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NC2CCCC2)N)Br)OC

InChI

InChI=1S/C15H21BrN2O2S/c1-19-13-7-10(12(16)8-14(13)20-2)9-21-15(17)18-11-5-3-4-6-11/h7-8,11H,3-6,9H2,1-2H3,(H2,17,18)