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

Systemtic Name: 3-nitro-N'-[2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylethanoyl]benzohydrazide Openeye Name: N'-[2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-3-nitro-benzohydrazide CAS Name: 3-nitro-N'-[1-oxo-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]ethyl]benzohydrazide IUPAC Name: 3-nitro-N'-[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]benzohydrazide Traditional Name: N'-[2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]-3-nitro-benzohydrazide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-15(2)34-12-6-11-27-22(31)18-9-3-4-10-19(18)24-23(27)35-14-20(29)25-26-21(30)16-7-5-8-17(13-16)28(32)33/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,25,29)(H,26,30)