(2,4-dimethylphenyl)-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]methanone

Systemtic Name: (2,4-dimethylphenyl)-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]methanone Openeye Name: (2,4-dimethylphenyl)-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]methanone CAS Name: (2,4-dimethylphenyl)-[1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-4-piperidinyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidin-4-yl]methanone Traditional Name: (2,4-dimethylphenyl)-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]methanone Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CNC3=S)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CNC3=S)C

InChI

InChI=1S/C20H22N2O2S/c1-13-5-6-16(14(2)12-13)18(23)15-7-10-22(11-8-15)20(24)17-4-3-9-21-19(17)25/h3-6,9,12,15H,7-8,10-11H2,1-2H3,(H,21,25)