N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-N-(m-tolyl)acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2S/c1-15-4-2-5-16(12-15)22-17(25)13-27-14-18(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12H,8-11,13-14H2,1H3,(H,22,25)