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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-piperonyloyl-2-thioxo-1H-quinazolin-4-one Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C16H10N2O4S/c19-14(9-5-6-12-13(7-9)22-8-21-12)18-15(20)10-3-1-2-4-11(10)17-16(18)23/h1-7H,8H2,(H,17,23)