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

Systemtic Name: 5-hexyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-hexyl-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-hexyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-hexyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-hexyl-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O2S/c1-2-3-4-8-11-13-14(19)17-16(21)18(15(13)20)12-9-6-5-7-10-12/h5-7,9-10,13H,2-4,8,11H2,1H3,(H,17,19,21)