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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[2-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[2-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[2-keto-2-[4-(4-pyridyl)piperazino]ethyl]thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-16-3-4-19(17(2)13-16)23-20(26)14-28-15-21(27)25-11-9-24(10-12-25)18-5-7-22-8-6-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)