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

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

Systemtic Name:5-[4-[(4-dodecylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Openeye Name:2-[5-[4-(4-dodecylphenyl)azophenoxy]pentyl]isothiourea
CAS Name:carbamimidothioic acid 5-[4-(4-dodecylphenyl)azophenoxy]pentyl ester
IUPAC Name:5-[4-[(4-dodecylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate
Traditional Name:2-[5-[4-(4-laurylphenyl)azophenoxy]pentyl]isothiourea
Formula: C30H46N4OS
MolecularWeight: 510.77744
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H46N4OS/c1-2-3-4-5-6-7-8-9-10-12-15-26-16-18-27(19-17-26)33-34-28-20-22-29(23-21-28)35-24-13-11-14-25-36-30(31)32/h16-23H,2-15,24-25H2,1H3,(H3,31,32)


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