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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCN=C(N)SCCCC2=CN=CN2

Isomeric SMILES

CC1=CC=C(C=C1)CCN=C(N)SCCCC2=CN=CN2

InChI

InChI=1S/C16H22N4S/c1-13-4-6-14(7-5-13)8-9-19-16(17)21-10-2-3-15-11-18-12-20-15/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)