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

Systemtic Name: 3-[4-[(4-hexylphenyl)diazenyl]phenoxy]propyl carbamimidothioate Openeye Name: 2-[3-[4-(4-hexylphenyl)azophenoxy]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[4-(4-hexylphenyl)azophenoxy]propyl ester IUPAC Name: 3-[4-[(4-hexylphenyl)diazenyl]phenoxy]propyl carbamimidothioate Traditional Name: 2-[3-[4-(4-hexylphenyl)azophenoxy]propyl]isothiourea Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N

InChI

InChI=1S/C22H30N4OS/c1-2-3-4-5-7-18-8-10-19(11-9-18)25-26-20-12-14-21(15-13-20)27-16-6-17-28-22(23)24/h8-15H,2-7,16-17H2,1H3,(H3,23,24)