3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate dihydrobromide

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate dihydrobromide Openeye Name: 3-[(4-chlorophenyl)methyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea dihydrobromide CAS Name: N'-[(4-chlorophenyl)methyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester dihydrobromide IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate dihydrobromide Traditional Name: 3-(4-chlorobenzyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea dihydrobromide Formula: C14H19Br2ClN4S MolecularWeight: 470.65346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br

Isomeric SMILES

C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br

InChI

InChI=1S/C14H17ClN4S.2BrH/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13;;/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19);2*1H