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

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

Systemtic Name:3-(1H-imidazol-5-yl)propyl N'-(3,3-diphenylpropyl)carbamimidothioate
Openeye Name:3-(3,3-diphenylpropyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea
CAS Name:N'-(3,3-diphenylpropyl)carbamimidothioic acid 3-(1H-imidazol-5-yl)propyl ester
IUPAC Name:3-(1H-imidazol-5-yl)propyl N'-(3,3-diphenylpropyl)carbamimidothioate
Traditional Name:3-(3,3-diphenylpropyl)-2-[3-(1H-imidazol-5-yl)propyl]isothiourea
Formula: C22H26N4S
MolecularWeight: 378.53364
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN=C(N)SCCCC2=CN=CN2)C3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)C(CCN=C(N)SCCCC2=CN=CN2)C3=CC=CC=C3


InChI

InChI=1S/C22H26N4S/c23-22(27-15-7-12-20-16-24-17-26-20)25-14-13-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,16-17,21H,7,12-15H2,(H2,23,25)(H,24,26)


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