N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C18H13N5O5S MolecularWeight: 411.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C18H13N5O5S/c24-16-7-28-15-6-14(23(26)27)12(5-13(15)22-16)21-17(25)8-29-18-10-3-1-2-4-11(10)19-9-20-18/h1-6,9H,7-8H2,(H,21,25)(H,22,24)