4-hexoxy-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-2-3-4-5-14-31-18-10-6-16(7-11-18)21(28)23-22(33)25-24-20(27)15-32-19-12-8-17(9-13-19)26(29)30/h6-13H,2-5,14-15H2,1H3,(H,24,27)(H2,23,25,28,33)