5-[1-(4-methylphenyl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[1-(4-methylphenyl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[1-(4-methylbenzoyl)-3-oxo-3-phenyl-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[1-(4-methylphenyl)-1,4-dioxo-4-phenylbutan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[1-(4-methylphenyl)-1,4-dioxo-4-phenylbutan-2-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-keto-3-phenyl-1-p-toluoyl-propyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(=O)C2=CC=CC=C2)C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C21H18N2O4S/c1-12-7-9-14(10-8-12)18(25)15(11-16(24)13-5-3-2-4-6-13)17-19(26)22-21(28)23-20(17)27/h2-10,15,17H,11H2,1H3,(H2,22,23,26,27,28)