3,4,5-triethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O7S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(25)22-20(31)21-14-11-13(23(26)27)7-8-15(14)24/h7-11,24H,4-6H2,1-3H3,(H2,21,22,25,31)