N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-homoveratryl-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-18-10-9-15(14-19(18)29-2)11-12-23-20(26)8-5-13-25-21(27)16-6-3-4-7-17(16)24-22(25)30/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3,(H,23,26)(H,24,30)