3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate dihydrobromide

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate dihydrobromide Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-iodophenyl)ethyl]isothiourea dihydrobromide CAS Name: N'-[2-(4-iodophenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester dihydrobromide IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate dihydrobromide Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-iodophenyl)ethyl]isothiourea dihydrobromide Formula: C15H21Br2IN4S MolecularWeight: 576.13151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br

Isomeric SMILES

C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br

InChI

InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H