3-[[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-phenyl]amino]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-phenyl]amino]carbamothioylamino]benzoic acid Openeye Name: 3-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-anilino]carbamothioylamino]benzoic acid CAS Name: 3-[[[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitrophenyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitroanilino]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-anilino]thiocarbamoylamino]benzoic acid Formula: C24H22N6O6S2 MolecularWeight: 554.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC(=C(C=C3)NNC(=S)NC4=CC=CC(=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNS(=O)(=O)C3=CC(=C(C=C3)NNC(=S)NC4=CC=CC(=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)27-24(37)29-28-21-9-8-18(13-22(21)30(33)34)38(35,36)26-11-10-16-14-25-20-7-2-1-6-19(16)20/h1-9,12-14,25-26,28H,10-11H2,(H,31,32)(H2,27,29,37)