3-bromanyl-4-butoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O5S MolecularWeight: 468.32162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C18H18BrN3O5S/c1-2-3-8-27-16-7-4-11(9-13(16)19)17(24)21-18(28)20-14-6-5-12(22(25)26)10-15(14)23/h4-7,9-10,23H,2-3,8H2,1H3,(H2,20,21,24,28)