S-[3-(6-bromanylhexoxy)-4-ethanoyl-2-propyl-phenyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[3-(6-bromanylhexoxy)-4-ethanoyl-2-propyl-phenyl] N,N-dimethylcarbamothioate Openeye Name: S-[4-acetyl-3-(6-bromohexoxy)-2-propyl-phenyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[4-acetyl-3-(6-bromohexoxy)-2-propylphenyl] ester IUPAC Name: S-[4-acetyl-3-(6-bromohexoxy)-2-propylphenyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[4-acetyl-3-(6-bromohexoxy)-2-propyl-phenyl] ester Formula: C20H30BrNO3S MolecularWeight: 444.4261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OCCCCCCBr)C(=O)C)SC(=O)N(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1OCCCCCCBr)C(=O)C)SC(=O)N(C)C

InChI

InChI=1S/C20H30BrNO3S/c1-5-10-17-18(26-20(24)22(3)4)12-11-16(15(2)23)19(17)25-14-9-7-6-8-13-21/h11-12H,5-10,13-14H2,1-4H3