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

Systemtic Name: (4-chlorophenyl)methyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Openeye Name: 2-[(4-chlorophenyl)methyl]-3-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl N'-[3-(1H-imidazol-5-yl)propyl]carbamimidothioate Traditional Name: 2-(4-chlorobenzyl)-3-[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=C1CSC(=NCCCC2=CN=CN2)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC(=NCCCC2=CN=CN2)N)Cl

InChI

InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)9-20-14(16)18-7-1-2-13-8-17-10-19-13/h3-6,8,10H,1-2,7,9H2,(H2,16,18)(H,17,19)