3-bromanyl-4-tert-butyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]benzamide Formula: C19H18BrClN4O4S MolecularWeight: 513.79262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN4O4S/c1-19(2,3)12-6-4-10(8-13(12)20)16(26)22-18(30)24-23-17(27)11-5-7-14(21)15(9-11)25(28)29/h4-9H,1-3H3,(H,23,27)(H2,22,24,26,30)