2-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(2-isopentyloxybenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(2-isoamoxybenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12(2)9-10-27-17-6-4-3-5-14(17)18(24)21-19(28)20-15-11-13(22(25)26)7-8-16(15)23/h3-8,11-12,23H,9-10H2,1-2H3,(H2,20,21,24,28)/p-1