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

Systemtic Name: 2-butoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-butoxy-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5S/c1-2-3-10-26-16-7-5-4-6-13(16)17(23)20-18(27)19-14-9-8-12(21(24)25)11-15(14)22/h4-9,11,22H,2-3,10H2,1H3,(H2,19,20,23,27)