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

Systemtic Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-[3-(methylthio)propanoyl]-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-28-16-12-21(27)24-14-10-18(11-15-24)25-19(9-13-22-25)23-20(26)8-7-17-5-3-2-4-6-17/h2-6,9,13,18H,7-8,10-12,14-16H2,1H3,(H,23,26)