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

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-2-3-6-13-30-18-8-5-4-7-17(18)20(27)22-21(32)24-23-19(26)14-31-16-11-9-15(10-12-16)25(28)29/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)(H2,22,24,27,32)