3-bromanyl-4-tert-butyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-18(2,3)12-6-4-10(8-13(12)19)16(24)21-17(27)20-14-9-11(22(25)26)5-7-15(14)23/h4-9,23H,1-3H3,(H2,20,21,24,27)