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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-26-16-10-9-13(12-17(16)27-2)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)28/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,28)