5-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylene)-1-butyl-3-(2-furylmethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-3-(2-furanylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylidene)-1-butyl-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-3-(2-furfuryl)-5-piperonylidene-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)N(C1=S)CC4=CC=CO4

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)C(=O)N(C1=S)CC4=CC=CO4

InChI

InChI=1S/C21H20N2O5S/c1-2-3-8-22-19(24)16(10-14-6-7-17-18(11-14)28-13-27-17)20(25)23(21(22)29)12-15-5-4-9-26-15/h4-7,9-11H,2-3,8,12-13H2,1H3