2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[3-(4-methoxy-1-vinyl-penta-1,3-dienyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[3-(6-methoxyhepta-1,3,5-trien-3-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-keto-3-(4-methoxy-1-vinyl-penta-1,3-dienyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)OC)OC

Isomeric SMILES

CC(=CC=C(C=C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C25H25N3O4S/c1-5-19(14-13-17(2)31-3)28-24(30)21-11-6-7-12-22(21)27-25(28)33-16-23(29)26-18-9-8-10-20(15-18)32-4/h5-15H,1,16H2,2-4H3,(H,26,29)