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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 1-(phenylcarbonyl)pyrrolidine-2-carbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 1-benzoylpyrrolidine-2-carbothioate CAS Name: 1-benzoyl-2-pyrrolidinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-benzoylpyrrolidine-2-carbothioate Traditional Name: 1-benzoylpyrrolidine-2-carbothioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C30H38N2O3S MolecularWeight: 506.69932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCCN3C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3CCCN3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H38N2O3S/c1-22(2)17-20-30(18-9-4-10-19-30)29(35)31-24-14-7-8-16-26(24)36-28(34)25-15-11-21-32(25)27(33)23-12-5-3-6-13-23/h3,5-8,12-14,16,22,25H,4,9-11,15,17-21H2,1-2H3,(H,31,35)