3-methyl-N-[2-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 3-methyl-N-[2-[1-(4-methylsulfanylphenyl)carbonylpiperidin-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-(4-methylsulfanylbenzoyl)-4-piperidyl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[[4-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-[4-(methylthio)benzoyl]-4-piperidyl]pyrazol-3-yl]butyramide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=NN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H28N4O2S/c1-15(2)14-20(26)23-19-8-11-22-25(19)17-9-12-24(13-10-17)21(27)16-4-6-18(28-3)7-5-16/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,23,26)