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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)CN5CCOCC5)OC1

InChI

InChI=1S/C24H26N4O4S/c29-23(25-17-6-7-20-21(14-17)32-11-3-10-31-20)16-33-24-18-4-1-2-5-19(18)26-22(27-24)15-28-8-12-30-13-9-28/h1-2,4-7,14H,3,8-13,15-16H2,(H,25,29)