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

Systemtic Name: N'-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-nitro-benzohydrazide Openeye Name: N'-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: N'-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: N'-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-nitrobenzohydrazide Traditional Name: N'-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzohydrazide Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S/c1-2-3-4-7-13-27-22(31)18-11-5-6-12-19(18)24-23(27)34-15-20(29)25-26-21(30)16-9-8-10-17(14-16)28(32)33/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,25,29)(H,26,30)