3-(2,5-dimethoxyphenyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2,5-dimethoxyphenyl)-4-keto-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCCO4)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4CCCO4)NC2=S

InChI

InChI=1S/C22H23N3O5S/c1-28-14-6-8-19(29-2)18(11-14)25-21(27)16-7-5-13(10-17(16)24-22(25)31)20(26)23-12-15-4-3-9-30-15/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,23,26)(H,24,31)