N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11N5O8S MolecularWeight: 421.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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