1-(3-chloranyl-2-methyl-phenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chloro-2-methyl-phenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chloro-2-methyl-phenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C)OCO2

InChI

InChI=1S/C21H17ClN2O5S/c1-3-27-16-9-18-17(28-10-29-18)8-12(16)7-13-19(25)23-21(30)24(20(13)26)15-6-4-5-14(22)11(15)2/h4-9H,3,10H2,1-2H3,(H,23,25,30)