N-(4-propan-2-ylphenyl)-2-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[3-(4-pyridin-2-ylpiperazin-1-yl)carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[[3-[4-(2-pyridyl)piperazine-1-carbonyl]-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-pyridinyl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-p-cumenyl-2-[[3-[4-(2-pyridyl)piperazine-1-carbonyl]-2-pyridyl]thio]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H29N5O2S/c1-19(2)20-8-10-21(11-9-20)29-24(32)18-34-25-22(6-5-13-28-25)26(33)31-16-14-30(15-17-31)23-7-3-4-12-27-23/h3-13,19H,14-18H2,1-2H3,(H,29,32)