N-[1-[2-[(3S)-3-(1-methylimidazol-2-yl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[2-[(3S)-3-(1-methylimidazol-2-yl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)-1-piperidyl]-2-oxo-ethyl]pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[2-[(3S)-3-[(1-methyl-2-imidazolyl)-oxomethyl]-1-piperidinyl]-2-oxoethyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-[2-keto-2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidino]ethyl]pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2CCCN(C2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C(=O)[C@H]2CCCN(C2)C(=O)CN3C=C(C=N3)NC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O3S/c1-27-11-9-24-23(27)22(32)17-6-5-10-28(13-17)21(31)15-29-14-18(12-25-29)26-20(30)16-33-19-7-3-2-4-8-19/h2-4,7-9,11-12,14,17H,5-6,10,13,15-16H2,1H3,(H,26,30)/t17-/m0/s1