2-hexoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O5S/c1-2-3-4-7-12-28-18-9-6-5-8-15(18)19(25)22-20(29)21-16-13-14(23(26)27)10-11-17(16)24/h5-6,8-11,13,24H,2-4,7,12H2,1H3,(H2,21,22,25,29)