4-nitro-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenolate

Systemtic Name: 4-nitro-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]phenolate Openeye Name: 4-nitro-2-[(4-pentoxybenzoyl)carbamothioylamino]phenolate CAS Name: 4-nitro-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-[(4-pentoxybenzoyl)carbamothioylamino]phenolate Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C19H20N3O5S- MolecularWeight: 402.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O5S/c1-2-3-4-11-27-15-8-5-13(6-9-15)18(24)21-19(28)20-16-12-14(22(25)26)7-10-17(16)23/h5-10,12,23H,2-4,11H2,1H3,(H2,20,21,24,28)/p-1