N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[3-(methylthio)-1-oxopropyl]-2-piperidinecarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[3-(methylthio)propanoyl]pipecolinamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)CCSC)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)CCSC)C

InChI

InChI=1S/C21H28N4O2S/c1-15-14-16(2)25(23-15)18-9-7-17(8-10-18)22-21(27)19-6-4-5-12-24(19)20(26)11-13-28-3/h7-10,14,19H,4-6,11-13H2,1-3H3,(H,22,27)