3-(1H-imidazol-5-yl)propyl N'-(phenylmethyl)carbamimidothioate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea CAS Name: N'-(phenylmethyl)carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-benzylcarbamimidothioate Traditional Name: 3-benzyl-2-[3-(1H-imidazol-5-yl)propyl]isothiourea Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4S/c15-14(17-9-12-5-2-1-3-6-12)19-8-4-7-13-10-16-11-18-13/h1-3,5-6,10-11H,4,7-9H2,(H2,15,17)(H,16,18)