5-[3-(4-methylphenyl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[3-(4-methylphenyl)-3-oxidanylidene-propyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[3-oxo-3-(p-tolyl)propyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[3-(4-methylphenyl)-3-oxopropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[3-(4-methylphenyl)-3-oxopropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-keto-3-(p-tolyl)propyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC2C(=O)NC(=S)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C14H14N2O3S/c1-8-2-4-9(5-3-8)11(17)7-6-10-12(18)15-14(20)16-13(10)19/h2-5,10H,6-7H2,1H3,(H2,15,16,18,19,20)