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

Systemtic Name: 4-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-2-3-10-23-19(26)15-6-4-5-7-16(15)22-20(23)29-12-14-9-8-13(18(21)25)11-17(14)24(27)28/h4-9,11H,2-3,10,12H2,1H3,(H2,21,25)