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

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-methyl-3-nitrophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11N5O7S MolecularWeight: 405.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O7S/c1-8-2-3-10(6-13(8)20(26)27)16-15(28)17-14(21)9-4-11(18(22)23)7-12(5-9)19(24)25/h2-7H,1H3,(H2,16,17,21,28)