N-[2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[2-(4-methylsulfanylphenyl)ethanoyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[2-[4-(methylthio)phenyl]-1-oxoethyl]-4-piperidinyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[2-[4-(methylthio)phenyl]acetyl]-4-piperidyl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

Isomeric SMILES

CSC1=CC=C(C=C1)CC(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)C4CC4

InChI

InChI=1S/C21H26N4O2S/c1-28-18-6-2-15(3-7-18)14-20(26)24-12-9-17(10-13-24)25-19(8-11-22-25)23-21(27)16-4-5-16/h2-3,6-8,11,16-17H,4-5,9-10,12-14H2,1H3,(H,23,27)