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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-bromophenyl)ethyl]carbamimidothioate Openeye Name: 3-[2-(4-bromophenyl)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[2-(4-bromophenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-bromophenyl)ethyl]carbamimidothioate Traditional Name: 3-[2-(4-bromophenyl)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C15H19BrN4S MolecularWeight: 367.30716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4S/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)