N-[(4-bromophenyl)carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[(4-bromophenyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-bromophenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[(4-bromoanilino)-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(4-bromophenyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-bromophenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C14H10BrN3O3S MolecularWeight: 380.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H10BrN3O3S/c15-10-3-5-11(6-4-10)16-14(22)17-13(19)9-1-7-12(8-2-9)18(20)21/h1-8H,(H2,16,17,19,22)