(4-methoxyphenyl)methyl N'-tert-butyl-N-phenyl-carbamimidothioate hydrobromide

Systemtic Name: (4-methoxyphenyl)methyl N'-tert-butyl-N-phenyl-carbamimidothioate hydrobromide Openeye Name: 3-tert-butyl-2-[(4-methoxyphenyl)methyl]-1-phenyl-isothiourea hydrobromide CAS Name: N'-tert-butyl-N-phenylcarbamimidothioic acid (4-methoxyphenyl)methyl ester hydrobromide IUPAC Name: (4-methoxyphenyl)methyl N'-tert-butyl-N-phenylcarbamimidothioate hydrobromide Traditional Name: 3-tert-butyl-2-p-anisyl-1-phenyl-isothiourea hydrobromide Formula: C19H25BrN2OS MolecularWeight: 409.3836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=CC=CC=C1)SCC2=CC=C(C=C2)OC.Br

Isomeric SMILES

CC(C)(C)N=C(NC1=CC=CC=C1)SCC2=CC=C(C=C2)OC.Br

InChI

InChI=1S/C19H24N2OS.BrH/c1-19(2,3)21-18(20-16-8-6-5-7-9-16)23-14-15-10-12-17(22-4)13-11-15;/h5-13H,14H2,1-4H3,(H,20,21);1H