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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(2-chlorophenyl)methyl]carbamimidothioate Openeye Name: 3-[(2-chlorophenyl)methyl]-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[(2-chlorophenyl)methyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(2-chlorophenyl)methyl]carbamimidothioate Traditional Name: 3-(2-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=C(C(=C1)CN=C(N)SCCCC2=CN=CN2)Cl

Isomeric SMILES

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

InChI

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