S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 1-ethanoylpyrrolidine-2-carbothioate

Systemtic Name: S-[2-[(1-methylcyclohexyl)carbonylamino]phenyl] 1-ethanoylpyrrolidine-2-carbothioate Openeye Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-acetylpyrrolidine-2-carbothioate CAS Name: 1-acetyl-2-pyrrolidinecarbothioic acid S-[2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 1-acetylpyrrolidine-2-carbothioate Traditional Name: 1-acetylpyrrolidine-2-carbothioic acid S-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

Isomeric SMILES

CC(=O)N1CCCC1C(=O)SC2=CC=CC=C2NC(=O)C3(CCCCC3)C

InChI

InChI=1S/C21H28N2O3S/c1-15(24)23-14-8-10-17(23)19(25)27-18-11-5-4-9-16(18)22-20(26)21(2)12-6-3-7-13-21/h4-5,9,11,17H,3,6-8,10,12-14H2,1-2H3,(H,22,26)