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

Systemtic Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate hydroiodide Openeye Name: 1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-3-(4-phenylazophenyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-methyl-1,1-bis(p-anisyl)-3-(4-phenylazophenyl)isothiourea hydroiodide Formula: C30H31IN4O2S MolecularWeight: 638.56221

Click to see the large picture

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)SC.I

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)SC.I

InChI

InChI=1S/C30H30N4O2S.HI/c1-35-28-17-9-23(10-18-28)21-34(22-24-11-19-29(36-2)20-12-24)30(37-3)31-25-13-15-27(16-14-25)33-32-26-7-5-4-6-8-26;/h4-20H,21-22H2,1-3H3;1H