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

Systemtic Name: N'-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-4-nitro-benzohydrazide Openeye Name: N'-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-nitro-benzohydrazide CAS Name: N'-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-nitrobenzohydrazide IUPAC Name: N'-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-4-nitrobenzohydrazide Traditional Name: N'-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-4-nitro-benzohydrazide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c1-14(2)11-12-26-21(30)17-5-3-4-6-18(17)23-22(26)33-13-19(28)24-25-20(29)15-7-9-16(10-8-15)27(31)32/h3-10,14H,11-13H2,1-2H3,(H,24,28)(H,25,29)