5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-methyl-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

InChI

InChI=1S/C14H13N3O4S/c1-17-13(19)9(12(18)16-14(17)22)6-15-5-8-2-3-10-11(4-8)21-7-20-10/h2-4,6,15H,5,7H2,1H3,(H,16,18,22)