N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-3-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/c1-9-6-12(17)7-10(2)14(9)18-16(24)19-15(21)11-4-3-5-13(8-11)20(22)23/h3-8H,1-2H3,(H2,18,19,21,24)