N-(3-bromophenyl)-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-bromophenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-bromophenyl)-2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-bromophenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-3-13(2)24-19(26)16-9-4-5-10-17(16)23-20(24)27-12-18(25)22-15-8-6-7-14(21)11-15/h4-11,13H,3,12H2,1-2H3,(H,22,25)