2-(cyclohexylcarbamothioylamino)-4-nitro-phenolate

Systemtic Name: 2-(cyclohexylcarbamothioylamino)-4-nitro-phenolate Openeye Name: 2-(cyclohexylcarbamothioylamino)-4-nitro-phenolate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-(cyclohexylcarbamothioylamino)-4-nitrophenolate Traditional Name: 2-(cyclohexylthiocarbamoylamino)-4-nitro-phenolate Formula: C13H16N3O3S- MolecularWeight: 294.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H17N3O3S/c17-12-7-6-10(16(18)19)8-11(12)15-13(20)14-9-4-2-1-3-5-9/h6-9,17H,1-5H2,(H2,14,15,20)/p-1