N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-(3-nitrophenyl)acetamide 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=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c30-23(26-19-11-6-12-20(16-19)29(32)33)17-34-25-27-22-14-5-4-13-21(22)24(31)28(25)15-7-10-18-8-2-1-3-9-18/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,26,30)