2-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-ethylhexyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-ethylhexyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C15H22N3O3S- MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H23N3O3S/c1-3-5-6-11(4-2)10-16-15(22)17-13-9-12(18(20)21)7-8-14(13)19/h7-9,11,19H,3-6,10H2,1-2H3,(H2,16,17,22)/p-1/t11-/m0/s1