4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3,5-dinitro-benzoate Openeye Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3,5-dinitro-benzoate CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]-3,5-dinitrobenzoate IUPAC Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]-3,5-dinitrobenzoate Traditional Name: 4-[(4-methoxyphenyl)thiocarbamoylthio]-3,5-dinitro-benzoate Formula: C15H10N3O7S2- MolecularWeight: 408.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O7S2/c1-25-10-4-2-9(3-5-10)16-15(26)27-13-11(17(21)22)6-8(14(19)20)7-12(13)18(23)24/h2-7H,1H3,(H,16,26)(H,19,20)/p-1