3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-homoveratryl-4-keto-N-(2-methoxyethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O5S/c1-28-11-9-23-20(26)15-5-6-16-17(13-15)24-22(31)25(21(16)27)10-8-14-4-7-18(29-2)19(12-14)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,31)