S-[4,5-bis(chloranyl)-2-(2-cyclohexyloctanoylamino)phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[4,5-bis(chloranyl)-2-(2-cyclohexyloctanoylamino)phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[4,5-dichloro-2-(2-cyclohexyloctanoylamino)phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[4,5-dichloro-2-[(2-cyclohexyl-1-oxooctyl)amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-(2-cyclohexyloctanoylamino)phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[4,5-dichloro-2-(2-cyclohexyloctanoylamino)phenyl] ester Formula: C25H37Cl2NO2S MolecularWeight: 486.53778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1CCCCC1)C(=O)NC2=CC(=C(C=C2SC(=O)C(C)(C)C)Cl)Cl

Isomeric SMILES

CCCCCCC(C1CCCCC1)C(=O)NC2=CC(=C(C=C2SC(=O)C(C)(C)C)Cl)Cl

InChI

InChI=1S/C25H37Cl2NO2S/c1-5-6-7-11-14-18(17-12-9-8-10-13-17)23(29)28-21-15-19(26)20(27)16-22(21)31-24(30)25(2,3)4/h15-18H,5-14H2,1-4H3,(H,28,29)