(phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-phenyl-carbamimidothioate hydrobromide

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-phenyl-carbamimidothioate hydrobromide Openeye Name: 2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]-3-phenyl-isothiourea hydrobromide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioic acid (phenylmethyl) ester hydrobromide IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-phenylcarbamimidothioate hydrobromide Traditional Name: 2-benzyl-1,1-bis(p-anisyl)-3-phenyl-isothiourea hydrobromide Formula: C30H31BrN2O2S MolecularWeight: 563.54834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3)SCC4=CC=CC=C4.Br

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3)SCC4=CC=CC=C4.Br

InChI

InChI=1S/C30H30N2O2S.BrH/c1-33-28-17-13-24(14-18-28)21-32(22-25-15-19-29(34-2)20-16-25)30(31-27-11-7-4-8-12-27)35-23-26-9-5-3-6-10-26;/h3-20H,21-23H2,1-2H3;1H