2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C#N)OC1

InChI

InChI=1S/C26H20N4O4S/c27-15-17-6-9-19(10-7-17)30-25(32)20-4-1-2-5-21(20)29-26(30)35-16-24(31)28-18-8-11-22-23(14-18)34-13-3-12-33-22/h1-2,4-11,14H,3,12-13,16H2,(H,28,31)