3-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C20H20N2O5S/c1-3-24-17-8-13-14(9-18(17)25-4-2)21-20(28)22(19(13)23)10-12-5-6-15-16(7-12)27-11-26-15/h5-9H,3-4,10-11H2,1-2H3,(H,21,28)