S-[2-[cyclohexylcarbonyl(3-methylbutyl)amino]phenyl] 2-methyl-2-oxidanyl-propanethioate

Systemtic Name: S-[2-[cyclohexylcarbonyl(3-methylbutyl)amino]phenyl] 2-methyl-2-oxidanyl-propanethioate Openeye Name: S-[2-[cyclohexanecarbonyl(isopentyl)amino]phenyl] 2-hydroxy-2-methyl-propanethioate CAS Name: 2-hydroxy-2-methylpropanethioic acid S-[2-[[cyclohexyl(oxo)methyl]-(3-methylbutyl)amino]phenyl] ester IUPAC Name: S-[2-[cyclohexanecarbonyl(3-methylbutyl)amino]phenyl] 2-hydroxy-2-methylpropanethioate Traditional Name: 2-hydroxy-2-methyl-propanethioic acid S-[2-[cyclohexanecarbonyl(isoamyl)amino]phenyl] ester Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=CC=CC=C1SC(=O)C(C)(C)O)C(=O)C2CCCCC2

Isomeric SMILES

CC(C)CCN(C1=CC=CC=C1SC(=O)C(C)(C)O)C(=O)C2CCCCC2

InChI

InChI=1S/C22H33NO3S/c1-16(2)14-15-23(20(24)17-10-6-5-7-11-17)18-12-8-9-13-19(18)27-21(25)22(3,4)26/h8-9,12-13,16-17,26H,5-7,10-11,14-15H2,1-4H3