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

Systemtic Name: (phenylmethyl) N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate Openeye Name: 2-benzyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(4-phenylazophenyl)isothiourea CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate Traditional Name: 2-benzyl-1,1-bis(p-anisyl)-3-(4-phenylazophenyl)isothiourea Formula: C36H34N4O2S MolecularWeight: 586.74576

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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)N=NC4=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)N=NC4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C36H34N4O2S/c1-41-34-21-13-28(14-22-34)25-40(26-29-15-23-35(42-2)24-16-29)36(43-27-30-9-5-3-6-10-30)37-31-17-19-33(20-18-31)39-38-32-11-7-4-8-12-32/h3-24H,25-27H2,1-2H3