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

Systemtic Name: 4-[[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-phenyl]amino]carbamothioylamino]benzoic acid Openeye Name: 4-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitro-anilino]carbamothioylamino]benzoic acid CAS Name: 4-[[[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitrophenyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[4-[2-(1H-indol-3-yl)ethylsulfamoyl]-2-nitroanilino]carbamothioylamino]benzoic acid Traditional Name: 4-[[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=C(C=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=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

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