N-(2-bromanyl-4-methyl-phenyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-3-4-11-25-20(27)15-7-5-6-8-17(15)24-21(25)28-13-19(26)23-18-10-9-14(2)12-16(18)22/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,26)