(phenylmethyl) N'-tert-butyl-N-(4-methoxyphenyl)carbamimidothioate hydrobromide

Systemtic Name: (phenylmethyl) N'-tert-butyl-N-(4-methoxyphenyl)carbamimidothioate hydrobromide Openeye Name: 2-benzyl-3-tert-butyl-1-(4-methoxyphenyl)isothiourea hydrobromide CAS Name: N'-tert-butyl-N-(4-methoxyphenyl)carbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N'-tert-butyl-N-(4-methoxyphenyl)carbamimidothioate hydrobromide Traditional Name: 2-benzyl-3-tert-butyl-1-(4-methoxyphenyl)isothiourea hydrobromide Formula: C19H25BrN2OS MolecularWeight: 409.3836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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