N-[(4-aminocarbonylphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(4-aminocarbonylphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(4-carbamoylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(4-carbamoylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(4-carbamoylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-carbamoylphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H11N5O6S MolecularWeight: 389.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O6S/c16-13(21)8-1-3-10(4-2-8)17-15(27)18-14(22)9-5-11(19(23)24)7-12(6-9)20(25)26/h1-7H,(H2,16,21)(H2,17,18,22,27)