3-methyl-N-[2-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(2-phenylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(2-phenylsulfanylacetyl)-4-piperidyl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[1-oxo-2-(phenylthio)ethyl]-4-piperidinyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-[2-(phenylthio)acetyl]-4-piperidyl]pyrazol-3-yl]butyramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-16(2)14-20(26)23-19-8-11-22-25(19)17-9-12-24(13-10-17)21(27)15-28-18-6-4-3-5-7-18/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,23,26)