2-(4-ethylphenoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-ethylphenoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-ethylphenoxy)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-ethylphenoxy)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-ethylphenoxy)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-ethylphenoxy)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O5S/c1-2-11-3-6-13(7-4-11)25-10-16(22)19-17(26)18-14-8-5-12(20(23)24)9-15(14)21/h3-9,21H,2,10H2,1H3,(H2,18,19,22,26)