2-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(2-isobutoxybenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[[2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-(2-methylpropoxy)benzoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(2-isobutoxybenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19N3O5S/c1-11(2)10-26-16-6-4-3-5-13(16)17(23)20-18(27)19-14-9-12(21(24)25)7-8-15(14)22/h3-9,11,22H,10H2,1-2H3,(H2,19,20,23,27)/p-1