5-butyl-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(=S)N(C1=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCCC1C(=O)NC(=S)N(C1=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C16H20N2O2S/c1-4-5-6-13-14(19)17-16(21)18(15(13)20)12-8-7-10(2)11(3)9-12/h7-9,13H,4-6H2,1-3H3,(H,17,19,21)