N'-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3-nitro-benzohydrazide

Systemtic Name: N'-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN5O5S/c1-12(2)10-26-20(30)16-9-14(22)6-7-17(16)23-21(26)33-11-18(28)24-25-19(29)13-4-3-5-15(8-13)27(31)32/h3-9,12H,10-11H2,1-2H3,(H,24,28)(H,25,29)