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

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Openeye Name: 4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butyramide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O5S/c1-27-16-11-13(12-17(28-2)19(16)29-3)22-18(25)9-6-10-24-20(26)14-7-4-5-8-15(14)23-21(24)30/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,25)(H,23,30)