S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] (E)-3-phenylprop-2-enethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] (E)-3-phenylprop-2-enethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] (E)-3-phenylprop-2-enethioate CAS Name: (E)-3-phenyl-2-propenethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] (E)-3-phenylprop-2-enethioate Traditional Name: (E)-3-phenylprop-2-enethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C27H33NO2S MolecularWeight: 435.62142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2S/c1-21(2)17-20-27(18-9-4-10-19-27)26(30)28-23-13-7-8-14-24(23)31-25(29)16-15-22-11-5-3-6-12-22/h3,5-8,11-16,21H,4,9-10,17-20H2,1-2H3,(H,28,30)/b16-15+