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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H29N3O5S/c1-17(2)31-12-5-11-28-24(30)19-7-3-4-8-20(19)27-25(28)34-16-23(29)26-18-9-10-21-22(15-18)33-14-6-13-32-21/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,26,29)