N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H14N4O6S MolecularWeight: 390.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O6S/c1-2-9-3-4-14(21)13(5-9)17-16(27)18-15(22)10-6-11(19(23)24)8-12(7-10)20(25)26/h3-8,21H,2H2,1H3,(H2,17,18,22,27)