3-(1,3-benzodioxol-5-ylmethyl)-7-(3-morpholin-4-ylpropylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-morpholin-4-ylpropylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-morpholinopropylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3-morpholin-4-ylpropylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(3-morpholinopropylcarbamoyl)-3-piperonyl-2-thioxo-quinazolin-4-olate Formula: C24H25N4O5S- MolecularWeight: 481.5441

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O5S/c29-22(25-6-1-7-27-8-10-31-11-9-27)17-3-4-18-19(13-17)26-24(34)28(23(18)30)14-16-2-5-20-21(12-16)33-15-32-20/h2-5,12-13,30H,1,6-11,14-15H2,(H,25,29)/p-1