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

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c1-2-3-4-13-30-17-9-5-15(6-10-17)20(27)22-21(32)24-23-19(26)14-31-18-11-7-16(8-12-18)25(28)29/h5-12H,2-4,13-14H2,1H3,(H,23,26)(H2,22,24,27,32)