1-methyl-5-phenyl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=S)N(C1=O)C)C2=CC=CC=C2

Isomeric SMILES

CCCC1(C(=O)NC(=S)N(C1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C14H16N2O2S/c1-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16(2)12(14)18/h4-8H,3,9H2,1-2H3,(H,15,17,19)