(5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-phenyl-3-propyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylene]-1-phenyl-3-propyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)N(C1=S)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)/C(=C\C2=CC3=C(C=C2Br)OCO3)/C(=O)N(C1=S)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O4S/c1-2-8-23-19(25)15(9-13-10-17-18(11-16(13)22)28-12-27-17)20(26)24(21(23)29)14-6-4-3-5-7-14/h3-7,9-11H,2,8,12H2,1H3/b15-9+