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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-phenethylcarbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-phenethylcarbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-phenethyl-isothiourea Formula: C15H20N4S MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c16-15(18-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-17-12-19-14/h1-3,5-6,11-12H,4,7-10H2,(H2,16,18)(H,17,19)