butyl 4-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(3-nitrobenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O6S/c1-3-4-15-36-27(33)19-11-13-21(14-12-19)28-25(31)18(2)37-24-10-6-8-22(17-24)29-26(32)20-7-5-9-23(16-20)30(34)35/h5-14,16-18H,3-4,15H2,1-2H3,(H,28,31)(H,29,32)