N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C)Br

InChI

InChI=1S/C16H14BrN3O3S/c1-9-7-11(17)8-10(2)14(9)18-16(24)19-15(21)12-5-3-4-6-13(12)20(22)23/h3-8H,1-2H3,(H2,18,19,21,24)