3-(1H-imidazol-5-yl)propyl N,N'-dibutylcarbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N,N'-dibutylcarbamimidothioate Openeye Name: 1,3-dibutyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N,N'-dibutylcarbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N,N'-dibutylcarbamimidothioate Traditional Name: 1,3-dibutyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C15H28N4S MolecularWeight: 296.47462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NCCCC)SCCCC1=CN=CN1

Isomeric SMILES

CCCCNC(=NCCCC)SCCCC1=CN=CN1

InChI

InChI=1S/C15H28N4S/c1-3-5-9-17-15(18-10-6-4-2)20-11-7-8-14-12-16-13-19-14/h12-13H,3-11H2,1-2H3,(H,16,19)(H,17,18)