S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-phenoxyethanethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-phenoxyethanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-phenoxyethanethioate CAS Name: 2-phenoxyethanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-phenoxyethanethioate Traditional Name: 2-phenoxyethanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H33NO3S/c1-20(2)15-18-26(16-9-4-10-17-26)25(29)27-22-13-7-8-14-23(22)31-24(28)19-30-21-11-5-3-6-12-21/h3,5-8,11-14,20H,4,9-10,15-19H2,1-2H3,(H,27,29)