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

Systemtic Name: N-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: N-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-2-3-11-24-20(28)16-9-4-5-10-17(16)22-21(24)31-13-18(26)23-19(27)14-7-6-8-15(12-14)25(29)30/h4-10,12H,2-3,11,13H2,1H3,(H,23,26,27)