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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[(4-chlorophenyl)methyl]-2-[3-(1H-imidazol-5-yl)propyl]-3-methyl-isothiourea CAS Name: N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-(4-chlorobenzyl)-2-[3-(1H-imidazol-5-yl)propyl]-3-methyl-isothiourea Formula: C15H19ClN4S MolecularWeight: 322.85616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4S/c1-17-15(19-9-12-4-6-13(16)7-5-12)21-8-2-3-14-10-18-11-20-14/h4-7,10-11H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)