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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-ethanoylpyrrolidine-2-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 1-acetylpyrrolidine-2-carbothioate CAS Name: 1-acetyl-2-pyrrolidinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-acetylpyrrolidine-2-carbothioate Traditional Name: 1-acetylpyrrolidine-2-carbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCCN3C(=O)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCCN3C(=O)C

InChI

InChI=1S/C25H36N2O3S/c1-18(2)13-16-25(14-7-4-8-15-25)24(30)26-20-10-5-6-12-22(20)31-23(29)21-11-9-17-27(21)19(3)28/h5-6,10,12,18,21H,4,7-9,11,13-17H2,1-3H3,(H,26,30)