3-[1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H27N5O2S/c1-17-24(18(2)30(27-17)20-8-4-3-5-9-20)33-16-23(31)28-14-12-19(13-15-28)29-22-11-7-6-10-21(22)26-25(29)32/h3-11,19H,12-16H2,1-2H3,(H,26,32)