N-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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