1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C(=C3)OC)OCO4)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C(=C3)OC)OCO4)C(=O)NC2=S

InChI

InChI=1S/C21H18N2O5S/c1-3-12-4-6-14(7-5-12)23-20(25)15(19(24)22-21(23)29)8-13-9-16(26-2)18-17(10-13)27-11-28-18/h4-10H,3,11H2,1-2H3,(H,22,24,29)