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

Systemtic Name: 4-nitro-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c26-21(16-10-12-17(13-11-16)25(27)28)24-22(31)23-19-8-4-5-9-20(19)30-15-14-29-18-6-2-1-3-7-18/h1-13H,14-15H2,(H2,23,24,26,31)