4-methyl-3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O6S/c1-14-6-7-17(24(30)31)12-21(14)26-22(28)15(2)34-20-5-3-4-18(13-20)25-23(29)16-8-10-19(11-9-16)27(32)33/h3-13,15H,1-2H3,(H,25,29)(H,26,28)(H,30,31)