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

Systemtic Name: 4-heptoxy-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-2-3-4-5-6-15-32-19-11-7-17(8-12-19)22(29)24-23(34)26-25-21(28)16-33-20-13-9-18(10-14-20)27(30)31/h7-14H,2-6,15-16H2,1H3,(H,25,28)(H2,24,26,29,34)