3-(1,3-benzodioxol-5-ylmethyl)-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-morpholin-4-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(morpholine-4-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(morpholine-4-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(morpholine-4-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O5S/c25-19(23-5-7-27-8-6-23)14-2-3-15-16(10-14)22-21(30)24(20(15)26)11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-10H,5-8,11-12H2,(H,22,30)