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

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate hydroiodide Openeye Name: 2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]-3-(4-phenylazophenyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenyldiazenylphenyl)carbamimidothioate hydroiodide Traditional Name: 2-ethyl-1,1-bis(p-anisyl)-3-(4-phenylazophenyl)isothiourea hydroiodide Formula: C31H33IN4O2S MolecularWeight: 652.58879

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)N=NC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC.I

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)N=NC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC.I

InChI

InChI=1S/C31H32N4O2S.HI/c1-4-38-31(32-26-14-16-28(17-15-26)34-33-27-8-6-5-7-9-27)35(22-24-10-18-29(36-2)19-11-24)23-25-12-20-30(37-3)21-13-25;/h5-21H,4,22-23H2,1-3H3;1H