2-(1H-imidazol-5-yl)ethyl N'-(4-phenylbutyl)carbamimidothioate

Systemtic Name: 2-(1H-imidazol-5-yl)ethyl N'-(4-phenylbutyl)carbamimidothioate Openeye Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-(4-phenylbutyl)isothiourea CAS Name: N'-(4-phenylbutyl)carbamimidothioic acid 2-(1H-imidazol-5-yl)ethyl ester IUPAC Name: 2-(1H-imidazol-5-yl)ethyl N'-(4-phenylbutyl)carbamimidothioate Traditional Name: 2-[2-(1H-imidazol-5-yl)ethyl]-3-(4-phenylbutyl)isothiourea Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4S/c17-16(21-11-9-15-12-18-13-20-15)19-10-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,19)(H,18,20)