4-nitro-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 4-nitro-2-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 4-nitro-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]phenolate CAS Name: 4-nitro-2-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-[(3,4,5-triethoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 4-nitro-2-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]phenolate Formula: C20H22N3O7S- MolecularWeight: 448.46958

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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)/p-1