2-(4-chloranylphenoxy)-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[[[2-(3-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C17H15ClN4O6S MolecularWeight: 438.8422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O6S/c18-11-4-6-13(7-5-11)27-9-15(23)19-17(29)21-20-16(24)10-28-14-3-1-2-12(8-14)22(25)26/h1-8H,9-10H2,(H,20,24)(H2,19,21,23,29)