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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-ethyl-carbamimidothioate Openeye Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidothioate Traditional Name: 3-(4-chlorobenzyl)-1-ethyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC1=CC=C(C=C1)Cl)SCCCC2=CN=CN2

Isomeric SMILES

CCNC(=NCC1=CC=C(C=C1)Cl)SCCCC2=CN=CN2

InChI

InChI=1S/C16H21ClN4S/c1-2-19-16(20-10-13-5-7-14(17)8-6-13)22-9-3-4-15-11-18-12-21-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,18,21)(H,19,20)