N-(4-bromophenyl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrClN3O2S/c1-13(2)9-10-26-20(28)17-8-5-15(23)11-18(17)25-21(26)29-12-19(27)24-16-6-3-14(22)4-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,27)