N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11N5O8S MolecularWeight: 421.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O8S/c1-28-13-3-2-9(18(22)23)7-12(13)16-15(29)17-14(21)8-4-10(19(24)25)6-11(5-8)20(26)27/h2-7H,1H3,(H2,16,17,21,29)