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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-(3-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-methoxyphenyl)-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

InChI

InChI=1S/C20H17N3O5S/c1-26-14-4-2-3-13(8-14)23-19(25)15(18(24)22-20(23)29)10-21-9-12-5-6-16-17(7-12)28-11-27-16/h2-8,10,21H,9,11H2,1H3,(H,22,24,29)