N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-piperonyl-acetamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H27N3O4S/c1-2-3-4-7-12-27-23(29)18-8-5-6-9-19(18)26-24(27)32-15-22(28)25-14-17-10-11-20-21(13-17)31-16-30-20/h5-6,8-11,13H,2-4,7,12,14-16H2,1H3,(H,25,28)