2-(1H-imidazol-5-yl)ethyl N'-phenethylcarbamimidothioate

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl N'-phenethylcarbamimidothioate Openeye Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid 2-(1H-imidazol-5-yl)ethyl ester IUPAC Name: 2-(1H-imidazol-5-yl)ethyl N'-phenethylcarbamimidothioate Traditional Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-phenethyl-isothiourea Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C(N)SCCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)CCN=C(N)SCCC2=CN=CN2

InChI

InChI=1S/C14H18N4S/c15-14(19-9-7-13-10-16-11-18-13)17-8-6-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,15,17)(H,16,18)