2-[[5-nitro-2-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[5-nitro-2-[2-[(phenylmethyl)carbamothioyl]hydrazinyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[2-[2-(benzylcarbamothioyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[5-nitro-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[2-[2-(benzylcarbamothioyl)hydrazinyl]-5-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[2-[N'-(benzylthiocarbamoyl)hydrazino]-5-nitro-phenyl]sulfonylamino]benzoic acid Formula: C21H19N5O6S2 MolecularWeight: 501.53546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19N5O6S2/c27-20(28)16-8-4-5-9-17(16)25-34(31,32)19-12-15(26(29)30)10-11-18(19)23-24-21(33)22-13-14-6-2-1-3-7-14/h1-12,23,25H,13H2,(H,27,28)(H2,22,24,33)