2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S/c23-18(20-8-9-28-13-14-4-2-1-3-5-14)11-21-16-10-15(22(25)26)6-7-17(16)27-12-19(21)24/h1-7,10H,8-9,11-13H2,(H,20,23)