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

Systemtic Name: ethyl N,N-bis[(4-methoxyphenyl)methyl]-N'-(4-phenylazanylphenyl)carbamimidothioate hydroiodide Openeye Name: 3-(4-anilinophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea hydroiodide CAS Name: N'-(4-anilinophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester hydroiodide IUPAC Name: ethyl N'-(4-anilinophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate hydroiodide Traditional Name: 3-(4-anilinophenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea hydroiodide Formula: C31H34IN3O2S MolecularWeight: 639.59003

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H33N3O2S.HI/c1-4-37-31(33-28-16-14-27(15-17-28)32-26-8-6-5-7-9-26)34(22-24-10-18-29(35-2)19-11-24)23-25-12-20-30(36-3)21-13-25;/h5-21,32H,4,22-23H2,1-3H3;1H