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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(phenylmethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 3-(2-benzylsulfanylethyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[2-(phenylmethylthio)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-(2-benzylsulfanylethyl)carbamimidothioate Traditional Name: 3-[2-(benzylthio)ethyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C16H22N4S2 MolecularWeight: 334.50268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CSCCN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C16H22N4S2/c17-16(22-9-4-7-15-11-18-13-20-15)19-8-10-21-12-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H2,17,19)(H,18,20)