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3-[4-[(4-dodecylphenyl)diazenyl]phenoxy]propyl carbamimidothioate

3-[4-[(4-dodecylphenyl)diazenyl]phenoxy]propyl carbamimidothioate

Systemtic Name:3-[4-[(4-dodecylphenyl)diazenyl]phenoxy]propyl carbamimidothioate
Openeye Name:2-[3-[4-(4-dodecylphenyl)azophenoxy]propyl]isothiourea
CAS Name:carbamimidothioic acid 3-[4-(4-dodecylphenyl)azophenoxy]propyl ester
IUPAC Name:3-[4-[(4-dodecylphenyl)diazenyl]phenoxy]propyl carbamimidothioate
Traditional Name:2-[3-[4-(4-laurylphenyl)azophenoxy]propyl]isothiourea
Formula: C28H42N4OS
MolecularWeight: 482.72428
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N


Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N


InChI

InChI=1S/C28H42N4OS/c1-2-3-4-5-6-7-8-9-10-11-13-24-14-16-25(17-15-24)31-32-26-18-20-27(21-19-26)33-22-12-23-34-28(29)30/h14-21H,2-13,22-23H2,1H3,(H3,29,30)


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