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

Systemtic Name: 3-[4-[(4-butylphenyl)diazenyl]phenoxy]propyl carbamimidothioate Openeye Name: 2-[3-[4-(4-butylphenyl)azophenoxy]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[4-(4-butylphenyl)azophenoxy]propyl ester IUPAC Name: 3-[4-[(4-butylphenyl)diazenyl]phenoxy]propyl carbamimidothioate Traditional Name: 2-[3-[4-(4-butylphenyl)azophenoxy]propyl]isothiourea Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCSC(=N)N

InChI

InChI=1S/C20H26N4OS/c1-2-3-5-16-6-8-17(9-7-16)23-24-18-10-12-19(13-11-18)25-14-4-15-26-20(21)22/h6-13H,2-5,14-15H2,1H3,(H3,21,22)