2-chloranyl-4-nitro-6-(phenylcarbonylcarbamothioylamino)phenolate

Systemtic Name: 2-chloranyl-4-nitro-6-(phenylcarbonylcarbamothioylamino)phenolate Openeye Name: 2-(benzoylcarbamothioylamino)-6-chloro-4-nitro-phenolate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-6-chloro-4-nitrophenolate IUPAC Name: 2-(benzoylcarbamothioylamino)-6-chloro-4-nitrophenolate Traditional Name: 2-(benzoylthiocarbamoylamino)-6-chloro-4-nitro-phenolate Formula: C14H9ClN3O4S- MolecularWeight: 350.75696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClN3O4S/c15-10-6-9(18(21)22)7-11(12(10)19)16-14(23)17-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,16,17,20,23)/p-1