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

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

Systemtic Name:4-heptoxy-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide
Openeye Name:4-heptoxy-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]benzamide
CAS Name:4-heptoxy-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]benzamide
IUPAC Name:4-heptoxy-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]benzamide
Traditional Name:4-heptoxy-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]benzamide
Formula: C21H25N3O5S
MolecularWeight: 431.5053
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O


Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O


InChI

InChI=1S/C21H25N3O5S/c1-2-3-4-5-6-13-29-17-10-7-15(8-11-17)20(26)23-21(30)22-18-12-9-16(24(27)28)14-19(18)25/h7-12,14,25H,2-6,13H2,1H3,(H2,22,23,26,30)


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