N-[(3-methoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(3-methoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-methoxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-methoxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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