4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3-nitro-benzoate

Systemtic Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3-nitro-benzoate Openeye Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3-nitro-benzoate CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]-3-nitrobenzoate IUPAC Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methoxyphenyl)thiocarbamoylthio]-3-nitro-benzoate Formula: C15H11N2O5S2- MolecularWeight: 363.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S2/c1-22-11-5-3-10(4-6-11)16-15(23)24-13-7-2-9(14(18)19)8-12(13)17(20)21/h2-8H,1H3,(H,16,23)(H,18,19)/p-1