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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)NC1=S

InChI

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