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

Systemtic Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate hydroiodide Openeye Name: 1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-3-(4-phenoxyphenyl)isothiourea hydroiodide CAS Name: N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenoxyphenyl)carbamimidothioate hydroiodide Traditional Name: 2-methyl-1,1-bis(p-anisyl)-3-(4-phenoxyphenyl)isothiourea hydroiodide Formula: C30H31IN2O3S MolecularWeight: 626.54821

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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)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC4=CC=CC=C4)SC.I

InChI

InChI=1S/C30H30N2O3S.HI/c1-33-26-15-9-23(10-16-26)21-32(22-24-11-17-27(34-2)18-12-24)30(36-3)31-25-13-19-29(20-14-25)35-28-7-5-4-6-8-28;/h4-20H,21-22H2,1-3H3;1H