5-ethyl-5-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-ethyl-5-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-ethyl-5-phenethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-ethyl-5-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-ethyl-5-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-ethyl-5-phenethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=S)NC1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC1(C(=O)NC(=S)NC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19)