3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H21N3O5S/c1-26-15-10-12(11-16(27-2)18(15)28-3)21-17(24)8-9-23-19(25)13-6-4-5-7-14(13)22-20(23)29/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,29)