N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O4S/c1-16-6-8-17(9-7-16)13-28-24(30)19-4-2-3-5-20(19)27-25(28)33-14-23(29)26-18-10-11-21-22(12-18)32-15-31-21/h2-12H,13-15H2,1H3,(H,26,29)