N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-(p-tolylthio)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=O)NC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC(=O)NC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15-7-9-17(10-8-15)28-14-20(26)22-18-13-19(25)23-21(27)24(18)12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,26)(H,23,25,27)