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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H19BrClN3O2S MolecularWeight: 480.80576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3O2S/c1-2-3-10-25-19(27)14-6-4-5-7-16(14)24-20(25)28-12-18(26)23-17-9-8-13(21)11-15(17)22/h4-9,11H,2-3,10,12H2,1H3,(H,23,26)