(5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC#C)OC)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC#C)OC)/C(=O)NC2=S

InChI

InChI=1S/C23H19BrN2O4S/c1-4-10-30-20-18(24)12-15(13-19(20)29-3)11-17-21(27)25-23(31)26(22(17)28)16-8-6-14(5-2)7-9-16/h1,6-9,11-13H,5,10H2,2-3H3,(H,25,27,31)/b17-11+