3-nitro-N-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]benzamide

Systemtic Name: 3-nitro-N-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]benzamide Openeye Name: N-[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]benzamide IUPAC Name: N-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C24H18N4O5S MolecularWeight: 474.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O5S/c29-21(26-22(30)17-9-6-10-18(13-17)28(32)33)15-34-24-25-20-12-5-4-11-19(20)23(31)27(24)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,26,29,30)