2-(2,5-dimethylphenoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

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