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

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

Systemtic Name:3-[4-[(4-decylphenyl)diazenyl]phenoxy]propyl carbamimidothioate
Openeye Name:2-[3-[4-(4-decylphenyl)azophenoxy]propyl]isothiourea
CAS Name:carbamimidothioic acid 3-[4-(4-decylphenyl)azophenoxy]propyl ester
IUPAC Name:3-[4-[(4-decylphenyl)diazenyl]phenoxy]propyl carbamimidothioate
Traditional Name:2-[3-[4-(4-decylphenyl)azophenoxy]propyl]isothiourea
Formula: C26H38N4OS
MolecularWeight: 454.67112
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N


Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N


InChI

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


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