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

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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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(=CC=C5)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O4S/c26-16-5-3-6-18(13-16)29-24(31)19-7-1-2-8-20(19)28-25(29)34-15-23(30)27-17-9-10-21-22(14-17)33-12-4-11-32-21/h1-3,5-10,13-14H,4,11-12,15H2,(H,27,30)