S-[2-[[1-(3-methylbutyl)cyclopentyl]carbonylamino]phenyl] pyridine-3-carbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclopentyl]carbonylamino]phenyl] pyridine-3-carbothioate Openeye Name: S-[2-[(1-isopentylcyclopentanecarbonyl)amino]phenyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclopentyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclopentanecarbonyl]amino]phenyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[2-[(1-isoamylcyclopentanecarbonyl)amino]phenyl] ester Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CCC1(CCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-17(2)11-14-23(12-5-6-13-23)22(27)25-19-9-3-4-10-20(19)28-21(26)18-8-7-15-24-16-18/h3-4,7-10,15-17H,5-6,11-14H2,1-2H3,(H,25,27)