4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-homoveratryl-butyramide Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)OC

InChI

InChI=1S/C22H24BrN3O4S/c1-29-18-8-5-14(12-19(18)30-2)9-10-24-20(27)4-3-11-26-21(28)16-13-15(23)6-7-17(16)25-22(26)31/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,24,27)(H,25,31)