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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-methylphenyl)methyl]carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(p-tolylmethyl)isothiourea CAS Name: N'-[(4-methylphenyl)methyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-methylphenyl)methyl]carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(4-methylbenzyl)isothiourea Formula: C15H20N4S MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c1-12-4-6-13(7-5-12)9-18-15(16)20-8-2-3-14-10-17-11-19-14/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)