5-(phenylmethyl)-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione; sodium

Systemtic Name: 5-(phenylmethyl)-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione; sodium Openeye Name: 5-benzyl-5-isopropenyl-2-thioxo-hexahydropyrimidine-4,6-dione; sodium CAS Name: 5-(1-methylethenyl)-5-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione; sodium IUPAC Name: 5-benzyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione; sodium Traditional Name: 5-benzyl-5-isopropenyl-2-thioxo-hexahydropyrimidine-4,6-quinone; sodium Formula: C14H14N2NaO2S MolecularWeight: 297.32793

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1(C(=O)NC(=S)NC1=O)CC2=CC=CC=C2.[Na]

Isomeric SMILES

CC(=C)C1(C(=O)NC(=S)NC1=O)CC2=CC=CC=C2.[Na]

InChI

InChI=1S/C14H14N2O2S.Na/c1-9(2)14(8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18;/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19);