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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodanylphenyl)ethyl]carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-iodanylphenyl)ethyl]isothiourea CAS Name: N'-[2-(4-iodanylphenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodanylphenyl)ethyl]carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-iodanylphenyl)ethyl]isothiourea Formula: C15H19IN4S MolecularWeight: 412.307784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)[125I]

InChI

InChI=1S/C15H19IN4S/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)/i16-2