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

Systemtic Name: 2-phenoxyethyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Openeye Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-(2-phenoxyethyl)isothiourea CAS Name: N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Traditional Name: 3-[3-(1H-imidazol-5-yl)propyl]-2-(2-phenoxyethyl)isothiourea Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSC(=NCCCC2=CN=CN2)N

Isomeric SMILES

C1=CC=C(C=C1)OCCSC(=NCCCC2=CN=CN2)N

InChI

InChI=1S/C15H20N4OS/c16-15(18-8-4-5-13-11-17-12-19-13)21-10-9-20-14-6-2-1-3-7-14/h1-3,6-7,11-12H,4-5,8-10H2,(H2,16,18)(H,17,19)