ethyl 4-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-nitrobenzoyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(4-nitrobenzoyl)amino]phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O6S/c1-3-23(25(31)27-19-12-8-18(9-13-19)26(32)35-4-2)36-22-7-5-6-20(16-22)28-24(30)17-10-14-21(15-11-17)29(33)34/h5-16,23H,3-4H2,1-2H3,(H,27,31)(H,28,30)