2-[[4-[2-(cyclopropylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[4-[2-(cyclopropylcarbamothioyl)hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[4-[2-(cyclopropylcarbamothioyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[[(cyclopropylamino)-sulfanylidenemethyl]hydrazo]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[2-(cyclopropylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[4-[N'-(cyclopropylthiocarbamoyl)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C17H17N5O6S2 MolecularWeight: 451.47678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O6S2/c23-16(24)12-3-1-2-4-13(12)21-30(27,28)11-7-8-14(15(9-11)22(25)26)19-20-17(29)18-10-5-6-10/h1-4,7-10,19,21H,5-6H2,(H,23,24)(H2,18,20,29)