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

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-iodophenyl)methyl]carbamimidothioate Openeye Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-[(4-iodophenyl)methyl]isothiourea CAS Name: N'-[(4-iodophenyl)methyl]carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[(4-iodophenyl)methyl]carbamimidothioate Traditional Name: 2-[3-(1H-imidazol-5-yl)propyl]-3-(4-iodobenzyl)isothiourea Formula: C14H17IN4S MolecularWeight: 400.28105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)I

Isomeric SMILES

C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)I

InChI

InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)