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

Systemtic Name: N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O6S/c1-8-2-3-13(20)12(4-8)16-15(26)17-14(21)9-5-10(18(22)23)7-11(6-9)19(24)25/h2-7,20H,1H3,(H2,16,17,21,26)