(phenylmethyl) N,N'-bis(phenylmethyl)carbamimidothioate hydrobromide

Systemtic Name: (phenylmethyl) N,N'-bis(phenylmethyl)carbamimidothioate hydrobromide Openeye Name: 1,2,3-tribenzylisothiourea hydrobromide CAS Name: N,N'-bis(phenylmethyl)carbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N,N'-dibenzylcarbamimidothioate hydrobromide Traditional Name: 1,2,3-tribenzylisothiourea hydrobromide Formula: C22H23BrN2S MolecularWeight: 427.40042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)SCC3=CC=CC=C3.Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)SCC3=CC=CC=C3.Br

InChI

InChI=1S/C22H22N2S.BrH/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21;/h1-15H,16-18H2,(H,23,24);1H