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

Systemtic Name: ethyl N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Openeye Name: 3-(4-bromophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(4-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-bromophenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C25H28BrIN2O2S MolecularWeight: 627.37549

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=C(C=C1)Br)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

Isomeric SMILES

CCSC(=NC1=CC=C(C=C1)Br)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC.I

InChI

InChI=1S/C25H27BrN2O2S.HI/c1-4-31-25(27-22-11-9-21(26)10-12-22)28(17-19-5-13-23(29-2)14-6-19)18-20-7-15-24(30-3)16-8-20;/h5-16H,4,17-18H2,1-3H3;1H