2-(4-chloranylphenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O5S/c17-11-4-6-13(7-5-11)26-9-14(22)18-16(27)20-19-15(23)10-2-1-3-12(8-10)21(24)25/h1-8H,9H2,(H,19,23)(H2,18,20,22,27)