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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-cyclohexyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-cyclohexyl-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CNCC3=CC4=C(C=C3)OCO4)C(=O)NC2=S

InChI

InChI=1S/C19H21N3O4S/c23-17-14(10-20-9-12-6-7-15-16(8-12)26-11-25-15)18(24)22(19(27)21-17)13-4-2-1-3-5-13/h6-8,10,13,20H,1-5,9,11H2,(H,21,23,27)