S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 5-oxidanylidenepyrrolidine-2-carbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 5-oxidanylidenepyrrolidine-2-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 5-oxopyrrolidine-2-carbothioate CAS Name: 5-oxo-2-pyrrolidinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 5-oxopyrrolidine-2-carbothioate Traditional Name: 5-ketopyrrolidine-2-carbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCC(=O)N3

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCC(=O)N3

InChI

InChI=1S/C23H32N2O3S/c1-16(2)12-15-23(13-6-3-7-14-23)22(28)25-17-8-4-5-9-19(17)29-21(27)18-10-11-20(26)24-18/h4-5,8-9,16,18H,3,6-7,10-15H2,1-2H3,(H,24,26)(H,25,28)