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

Systemtic Name: N-[(3-methylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-(m-tolylcarbamothioyl)-3,5-dinitro-benzamide CAS Name: N-[(3-methylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-methylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-(m-tolylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O5S/c1-9-3-2-4-11(5-9)16-15(25)17-14(20)10-6-12(18(21)22)8-13(7-10)19(23)24/h2-8H,1H3,(H2,16,17,20,25)