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

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate Openeye Name: 2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(4-phenoxyphenyl)isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate Traditional Name: 2-benzyl-1,1-bis(p-anisyl)-3-(4-phenoxyphenyl)isothiourea Formula: C36H34N2O3S MolecularWeight: 574.73176

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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=C(C=C3)OC4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C36H34N2O3S/c1-39-32-19-13-28(14-20-32)25-38(26-29-15-21-33(40-2)22-16-29)36(42-27-30-9-5-3-6-10-30)37-31-17-23-35(24-18-31)41-34-11-7-4-8-12-34/h3-24H,25-27H2,1-2H3