3-(1H-imidazol-5-yl)propyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-methoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[2-(4-methoxyphenyl)ethyl]isothiourea Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

COC1=CC=C(C=C1)CCN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C16H22N4OS/c1-21-15-6-4-13(5-7-15)8-9-19-16(17)22-10-2-3-14-11-18-12-20-14/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)