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

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylene]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[(piperonylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=S

InChI

InChI=1S/C17H19N3O4S/c1-2-3-6-20-16(22)12(15(21)19-17(20)25)9-18-8-11-4-5-13-14(7-11)24-10-23-13/h4-5,7,9,18H,2-3,6,8,10H2,1H3,(H,19,21,25)