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

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H12N4O6S MolecularWeight: 376.34398

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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-]

Isomeric SMILES

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

InChI

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