methyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide

Systemtic Name: methyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(2-bromophenyl)-1,1-bis[(4-methoxyphenyl)methyl]-2-methyl-isothiourea hydroiodide CAS Name: N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid methyl ester hydroiodide IUPAC Name: methyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(2-bromophenyl)-2-methyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C24H26BrIN2O2S MolecularWeight: 613.34891

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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=CC=C3Br)SC.I

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3Br)SC.I

InChI

InChI=1S/C24H25BrN2O2S.HI/c1-28-20-12-8-18(9-13-20)16-27(17-19-10-14-21(29-2)15-11-19)24(30-3)26-23-7-5-4-6-22(23)25;/h4-15H,16-17H2,1-3H3;1H