2-methoxy-N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: 2-methoxy-N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: 2-methoxy-N-[2-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: 2-methoxy-N-[2-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: 2-methoxy-N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: 2-methoxy-N-[2-[1-[3-(methylthio)propanoyl]-4-piperidyl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)CCSC

Isomeric SMILES

COC(C1=CC=CC=C1)C(=O)NC2=CC=NN2C3CCN(CC3)C(=O)CCSC

InChI

InChI=1S/C21H28N4O3S/c1-28-20(16-6-4-3-5-7-16)21(27)23-18-8-12-22-25(18)17-9-13-24(14-10-17)19(26)11-15-29-2/h3-8,12,17,20H,9-11,13-15H2,1-2H3,(H,23,27)