2-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[[(1S,2S)-2-methylcyclohexyl]thiocarbamoylamino]-4-nitro-phenolate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H19N3O3S/c1-9-4-2-3-5-11(9)15-14(21)16-12-8-10(17(19)20)6-7-13(12)18/h6-9,11,18H,2-5H2,1H3,(H2,15,16,21)/p-1/t9-,11-/m0/s1