N-[2-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(2-methylsulfanylacetyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[2-(methylthio)-1-oxoethyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[2-(methylthio)acetyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3

InChI

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