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

Systemtic Name: methyl N'-(4-ethanoylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-acetylphenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(4-acetylphenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-acetylphenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C26H29IN2O3S MolecularWeight: 576.48953

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N=C(N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)SC.I

InChI

InChI=1S/C26H28N2O3S.HI/c1-19(29)22-9-11-23(12-10-22)27-26(32-4)28(17-20-5-13-24(30-2)14-6-20)18-21-7-15-25(31-3)16-8-21;/h5-16H,17-18H2,1-4H3;1H