2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-(2-thienyl)methyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[(4-propylphenyl)-(2-thienyl)methyl]acetamide Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5S/c1-2-4-16-6-8-17(9-7-16)24(21-5-3-12-33-21)25-22(28)14-26-19-13-18(27(30)31)10-11-20(19)32-15-23(26)29/h3,5-13,24H,2,4,14-15H2,1H3,(H,25,28)