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5-[4-[(4-octylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate

5-[4-[(4-octylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate

Systemtic Name:5-[4-[(4-octylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Openeye Name:2-[5-[4-(4-octylphenyl)azophenoxy]pentyl]isothiourea
CAS Name:carbamimidothioic acid 5-[4-(4-octylphenyl)azophenoxy]pentyl ester
IUPAC Name:5-[4-[(4-octylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Traditional Name:2-[5-[4-(4-octylphenyl)azophenoxy]pentyl]isothiourea
Formula: C26H38N4OS
MolecularWeight: 454.67112
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCSC(=N)N


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCSC(=N)N


InChI

InChI=1S/C26H38N4OS/c1-2-3-4-5-6-8-11-22-12-14-23(15-13-22)29-30-24-16-18-25(19-17-24)31-20-9-7-10-21-32-26(27)28/h12-19H,2-11,20-21H2,1H3,(H3,27,28)


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