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

Systemtic Name: N-[(3-bromophenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-bromophenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-bromoanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-bromophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-bromophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H9BrN4O5S MolecularWeight: 425.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN4O5S/c15-9-2-1-3-10(6-9)16-14(25)17-13(20)8-4-11(18(21)22)7-12(5-8)19(23)24/h1-7H,(H2,16,17,20,25)