2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-1H-quinazolin-4-one

Systemtic Name: 2-sulfanylidene-3-(3,4,5-triethoxyphenyl)carbonyl-1H-quinazolin-4-one Openeye Name: 2-thioxo-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one CAS Name: 3-[oxo-(3,4,5-triethoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 2-sulfanylidene-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one Traditional Name: 2-thioxo-3-(3,4,5-triethoxybenzoyl)-1H-quinazolin-4-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H22N2O5S/c1-4-26-16-11-13(12-17(27-5-2)18(16)28-6-3)19(24)23-20(25)14-9-7-8-10-15(14)22-21(23)29/h7-12H,4-6H2,1-3H3,(H,22,29)