4-methyl-3-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-methyl-3-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C29H23N3O6S MolecularWeight: 541.57442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23N3O6S/c1-18-10-11-21(29(35)36)17-25(18)31-28(34)26(19-6-3-2-4-7-19)39-24-14-12-22(13-15-24)30-27(33)20-8-5-9-23(16-20)32(37)38/h2-17,26H,1H3,(H,30,33)(H,31,34)(H,35,36)