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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(3-chlorophenyl)methyl]carbamimidothioate Openeye Name: 3-[(3-chlorophenyl)methyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[(3-chlorophenyl)methyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(3-chlorophenyl)methyl]carbamimidothioate Traditional Name: 3-(3-chlorobenzyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C14H17ClN4S MolecularWeight: 308.82958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)