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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H27N3O4S/c1-16(2)10-11-27-23(29)18-6-3-4-7-19(18)26-24(27)32-15-22(28)25-17-8-9-20-21(14-17)31-13-5-12-30-20/h3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,25,28)