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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(o-tolyl)-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

InChI

InChI=1S/C20H17N3O4S/c1-12-4-2-3-5-15(12)23-19(25)14(18(24)22-20(23)28)10-21-9-13-6-7-16-17(8-13)27-11-26-16/h2-8,10,21H,9,11H2,1H3,(H,22,24,28)