4-bromanyl-N'-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]benzohydrazide Openeye Name: 4-bromo-N'-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]benzohydrazide CAS Name: 4-bromo-N'-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]benzohydrazide IUPAC Name: 4-bromo-N'-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide Traditional Name: 4-bromo-N'-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]benzohydrazide Formula: C22H22BrClN4O3S MolecularWeight: 537.85708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrClN4O3S/c1-13(2)9-10-28-21(31)17-8-7-16(24)11-18(17)25-22(28)32-12-19(29)26-27-20(30)14-3-5-15(23)6-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,26,29)(H,27,30)