3-nitro-N'-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide

Systemtic Name: 3-nitro-N'-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide Openeye Name: 3-nitro-N'-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]benzohydrazide IUPAC Name: 3-nitro-N'-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]benzohydrazide Traditional Name: N'-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]-3-nitro-benzohydrazide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c27-18(23-24-19(28)14-7-6-8-15(13-14)26(30)31)11-2-1-5-12-25-20(29)16-9-3-4-10-17(16)22-21(25)32/h3-4,6-10,13H,1-2,5,11-12H2,(H,22,32)(H,23,27)(H,24,28)