4-chloranyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H15ClN4O6S MolecularWeight: 438.8422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O6S/c1-27-11-3-5-12(6-4-11)28-9-15(23)20-21-17(29)19-16(24)10-2-7-13(18)14(8-10)22(25)26/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,24,29)