N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC1

InChI

InChI=1S/C23H19N3O3S2/c27-21(24-15-8-9-18-19(13-15)29-11-4-10-28-18)14-31-23-16-5-1-2-6-17(16)25-22(26-23)20-7-3-12-30-20/h1-3,5-9,12-13H,4,10-11,14H2,(H,24,27)