(3E)-1-methyl-3-[6-(4-oxidanylidenechromen-3-yl)-2-sulfanylidene-1,3-diazinan-4-ylidene]quinoline-2,4-dione

Systemtic Name: (3E)-1-methyl-3-[6-(4-oxidanylidenechromen-3-yl)-2-sulfanylidene-1,3-diazinan-4-ylidene]quinoline-2,4-dione Openeye Name: (3E)-1-methyl-3-[6-(4-oxochromen-3-yl)-2-thioxo-hexahydropyrimidin-4-ylidene]quinoline-2,4-dione CAS Name: (3E)-1-methyl-3-[6-(4-oxo-1-benzopyran-3-yl)-2-sulfanylidene-1,3-diazinan-4-ylidene]quinoline-2,4-dione IUPAC Name: (3E)-1-methyl-3-[6-(4-oxochromen-3-yl)-2-sulfanylidene-1,3-diazinan-4-ylidene]quinoline-2,4-dione Traditional Name: (3E)-3-[6-(4-ketochromen-3-yl)-2-thioxo-hexahydropyrimidin-4-ylidene]-1-methyl-quinoline-2,4-quinone Formula: C23H17N3O4S MolecularWeight: 431.46378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C3CC(NC(=S)N3)C4=COC5=CC=CC=C5C4=O)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)/C(=C\3/CC(NC(=S)N3)C4=COC5=CC=CC=C5C4=O)/C1=O

InChI

InChI=1S/C23H17N3O4S/c1-26-17-8-4-2-6-12(17)21(28)19(22(26)29)16-10-15(24-23(31)25-16)14-11-30-18-9-5-3-7-13(18)20(14)27/h2-9,11,15H,10H2,1H3,(H2,24,25,31)/b19-16+