N-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C20H25N5O2S/c1-15-4-5-17(16(2)12-15)23-18(26)13-28-14-19(27)24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12H,8-11,13-14H2,1-2H3,(H,23,26)