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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-phenyl-isothiourea Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NC2=CC=CC=C2)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NC2=CC=CC=C2)N)Br)OC

InChI

InChI=1S/C16H17BrN2O2S/c1-20-14-8-11(13(17)9-15(14)21-2)10-22-16(18)19-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H2,18,19)