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

Systemtic Name: S-[4,5-bis(chloranyl)-2-(2-cyclohexylheptanoylamino)phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[4,5-dichloro-2-(2-cyclohexylheptanoylamino)phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[4,5-dichloro-2-[(2-cyclohexyl-1-oxoheptyl)amino]phenyl] ester IUPAC Name: S-[4,5-dichloro-2-(2-cyclohexylheptanoylamino)phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[4,5-dichloro-2-(2-cyclohexylheptanoylamino)phenyl] ester Formula: C24H35Cl2NO2S MolecularWeight: 472.5112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35Cl2NO2S/c1-5-6-8-13-17(16-11-9-7-10-12-16)22(28)27-20-14-18(25)19(26)15-21(20)30-23(29)24(2,3)4/h14-17H,5-13H2,1-4H3,(H,27,28)