N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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