S-[4-[(4-dimethylaminophenyl)diazenyl]phenyl] N-(6-oxidanylhexyl)carbamothioate

Systemtic Name: S-[4-[(4-dimethylaminophenyl)diazenyl]phenyl] N-(6-oxidanylhexyl)carbamothioate Openeye Name: S-[4-(4-dimethylaminophenyl)azophenyl] N-(6-hydroxyhexyl)carbamothioate CAS Name: N-(6-hydroxyhexyl)carbamothioic acid S-[4-(4-dimethylaminophenyl)azophenyl] ester IUPAC Name: S-[4-[(4-dimethylaminophenyl)diazenyl]phenyl] N-(6-hydroxyhexyl)carbamothioate Traditional Name: N-(6-hydroxyhexyl)thiocarbamic acid S-[4-(4-dimethylaminophenyl)azophenyl] ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)SC(=O)NCCCCCCO

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)SC(=O)NCCCCCCO

InChI

InChI=1S/C21H28N4O2S/c1-25(2)19-11-7-17(8-12-19)23-24-18-9-13-20(14-10-18)28-21(27)22-15-5-3-4-6-16-26/h7-14,26H,3-6,15-16H2,1-2H3,(H,22,27)