2,2-dimethyl-N-[2-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[2-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]pyrazol-3-yl]propanamide Openeye Name: 2,2-dimethyl-N-[2-[1-(2-methylsulfanylbenzoyl)-4-piperidyl]pyrazol-3-yl]propanamide CAS Name: 2,2-dimethyl-N-[2-[1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-3-pyrazolyl]propanamide IUPAC Name: 2,2-dimethyl-N-[2-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]pyrazol-3-yl]propanamide Traditional Name: 2,2-dimethyl-N-[2-[1-[2-(methylthio)benzoyl]-4-piperidyl]pyrazol-3-yl]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4O2S/c1-21(2,3)20(27)23-18-9-12-22-25(18)15-10-13-24(14-11-15)19(26)16-7-5-6-8-17(16)28-4/h5-9,12,15H,10-11,13-14H2,1-4H3,(H,23,27)