2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N4O5S/c1-3-4-5-8-13-26-22(29)17-9-6-7-10-18(17)25-23(26)33-15-21(28)24-19-12-11-16(27(30)31)14-20(19)32-2/h6-7,9-12,14H,3-5,8,13,15H2,1-2H3,(H,24,28)