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

Systemtic Name: N-[(3-acetamidophenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-acetamidophenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-acetamidoanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-acetamidophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-acetamidophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-9(22)17-11-3-2-4-12(7-11)18-16(28)19-15(23)10-5-13(20(24)25)8-14(6-10)21(26)27/h2-8H,1H3,(H,17,22)(H2,18,19,23,28)