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

Systemtic Name: N-methyl-N-(4-nitrophenyl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-methyl-N-(4-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-methyl-N-(4-nitrophenyl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-methyl-N-(4-nitrophenyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-28(20-13-15-21(16-14-20)30(33)34)24(31)18-35-26-27-23-12-6-5-11-22(23)25(32)29(26)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16H,7,10,17-18H2,1H3