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

Systemtic Name: 3-nitro-4-[[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]methyl]-3-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c26-23(30)18-12-13-19(22(15-18)29(32)33)16-34-25-27-21-11-5-4-10-20(21)24(31)28(25)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H2,26,30)